N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

C18H32N4O — CID 77088880

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCN(Cc1n[nH]c2c1CCCCC2)CC(C)(C)N1CCOCC1
InChIInChI=1S/C18H32N4O/c1-18(2,22-9-11-23-12-10-22)14-21(3)13-17-15-7-5-4-6-8-16(15)19-20-17/h4-14H2,1-3H3,(H,19,20)
InChIKeyCRAJBKIBWWVORD-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.22
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 77088880) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
PubChem CID77088880
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCN(Cc1n[nH]c2c1CCCCC2)CC(C)(C)N1CCOCC1
InChIInChI=1S/C18H32N4O/c1-18(2,22-9-11-23-12-10-22)14-21(3)13-17-15-7-5-4-6-8-16(15)19-20-17/h4-14H2,1-3H3,(H,19,20)
InChIKeyCRAJBKIBWWVORD-UHFFFAOYSA-N
XLogP2.22
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine with MolForge

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808371
Ethyl 4-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amino]piperidine-1-carboxylate
CID 50969318
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methylpiperidin-3-amine
CID 56707934
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-2-(3-morpholinyl)acetamide
CID 56891405
5-(2-Methoxyethyl)-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489244
6-(2-Methoxyethyl)-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118489245
5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 118489258
5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
CID 118489291
5-(2-Methoxyethyl)-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491649
5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine
CID 118491654
3-Ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118493335
3-Ethyl-5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493349

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (CID 77088880) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is CN(Cc1n[nH]c2c1CCCCC2)CC(C)(C)N1CCOCC1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is CRAJBKIBWWVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-18(2,22-9-11-23-12-10-22)14-21(3)13-17-15-7-5-4-6-8-16(15)19-20-17/h4-14H2,1-3H3,(H,19,20).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 77088880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).