4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine

C15H31N3O — CID 65378386

IUPAC4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-2-8-18-9-4-6-15(13-16,7-10-18)17-12-14-5-3-11-19-14/h14,17H,2-13,16H2,1H3
InChIKeyDXKAIWUTPHBJAA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.35
Rot. Bonds6

About 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine

4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine (PubChem CID 65378386) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
PubChem CID65378386
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(NCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-2-8-18-9-4-6-15(13-16,7-10-18)17-12-14-5-3-11-19-14/h14,17H,2-13,16H2,1H3
InChIKeyDXKAIWUTPHBJAA-UHFFFAOYSA-N
XLogP1.35
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
4-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-1-propylazepan-4-amine
CID 83012034
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
4-(aminomethyl)-1-propyl-N-prop-2-ynylpiperidin-4-amine
CID 65381576
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine (CID 65378386) is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine is CCCN1CCCC(CN)(NCC2CCCO2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine?
The InChIKey is DXKAIWUTPHBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-8-18-9-4-6-15(13-16,7-10-18)17-12-14-5-3-11-19-14/h14,17H,2-13,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine?
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65378386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).