N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine

C12H21N3 — CID 63927415

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c([nH]1)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(2)13-8-12-14-10-6-4-3-5-7-11(10)15-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyBAEJPDYJTRWDCP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine (PubChem CID 63927415) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
PubChem CID63927415
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c([nH]1)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(2)13-8-12-14-10-6-4-3-5-7-11(10)15-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyBAEJPDYJTRWDCP-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanamine
CID 63927396
N-(4,5,6,7,8,9-hexahydro-1H-cycloocta[d]imidazol-2-ylmethyl)-2-methoxyethanamine
CID 63955902
2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
CID 83858442
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081556
4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
CID 71779243
N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
CID 102970042
1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
CID 83858416
5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 146104021
4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 146103457
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine (CID 63927415) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine is CC(C)NCc1nc2c([nH]1)CCCCC2.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine?
The InChIKey is BAEJPDYJTRWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)13-8-12-14-10-6-4-3-5-7-11(10)15-12/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 63927415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).