1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine

C15H32N2O — CID 79560725

IUPAC1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
SMILESCCCCOCCNC(C)CC1CCCCCN1
InChIInChI=1S/C15H32N2O/c1-3-4-11-18-12-10-16-14(2)13-15-8-6-5-7-9-17-15/h14-17H,3-13H2,1-2H3
InChIKeyLXCBDKFHMSPYKN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.70
Rot. Bonds9

About 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine

1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine (PubChem CID 79560725) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
PubChem CID79560725
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
SMILESCCCCOCCNC(C)CC1CCCCCN1
InChIInChI=1S/C15H32N2O/c1-3-4-11-18-12-10-16-14(2)13-15-8-6-5-7-9-17-15/h14-17H,3-13H2,1-2H3
InChIKeyLXCBDKFHMSPYKN-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine (CID 79560725) is 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine is CCCCOCCNC(C)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine?
The InChIKey is LXCBDKFHMSPYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-4-11-18-12-10-16-14(2)13-15-8-6-5-7-9-17-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine?
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine is sourced from PubChem (CID 79560725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).