1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H27N5 — CID 103011964

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCN1CCCN(C)C(C(N)CCc2cnn(C)c2)C1
InChIInChI=1S/C14H27N5/c1-17-7-4-8-18(2)14(11-17)13(15)6-5-12-9-16-19(3)10-12/h9-10,13-14H,4-8,11,15H2,1-3H3
InChIKeyUOYMSJYJBHTWGJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.32
Rot. Bonds4

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011964) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011964
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCN1CCCN(C)C(C(N)CCc2cnn(C)c2)C1
InChIInChI=1S/C14H27N5/c1-17-7-4-8-18(2)14(11-17)13(15)6-5-12-9-16-19(3)10-12/h9-10,13-14H,4-8,11,15H2,1-3H3
InChIKeyUOYMSJYJBHTWGJ-UHFFFAOYSA-N
XLogP0.32
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011971
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(5,6-dimethyl-1,4-dithian-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103345602
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011964) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CN1CCCN(C)C(C(N)CCc2cnn(C)c2)C1.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is UOYMSJYJBHTWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-17-7-4-8-18(2)14(11-17)13(15)6-5-12-9-16-19(3)10-12/h9-10,13-14H,4-8,11,15H2,1-3H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).