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

C13H29N3 — CID 107895614

IUPAC3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
SMILESCCCC(C)N1CCCN(CCCN)CC1
InChIInChI=1S/C13H29N3/c1-3-6-13(2)16-10-5-9-15(11-12-16)8-4-7-14/h13H,3-12,14H2,1-2H3
InChIKeyVEIFXUZSMUDVII-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds6

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

3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine (PubChem CID 107895614) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
PubChem CID107895614
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
SMILESCCCC(C)N1CCCN(CCCN)CC1
InChIInChI=1S/C13H29N3/c1-3-6-13(2)16-10-5-9-15(11-12-16)8-4-7-14/h13H,3-12,14H2,1-2H3
InChIKeyVEIFXUZSMUDVII-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887374
1-(2-bromoethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887476
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
CID 107895642
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine?
The IUPAC name of 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine (CID 107895614) is 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine is CCCC(C)N1CCCN(CCCN)CC1.
What is the InChIKey of 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine?
The InChIKey is VEIFXUZSMUDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-6-13(2)16-10-5-9-15(11-12-16)8-4-7-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine?
3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine is sourced from PubChem (CID 107895614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).