1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine

C18H37N3 — CID 79541130

IUPAC1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCCN1CCCCC1C
InChIInChI=1S/C18H37N3/c1-16(15-18-10-4-3-6-11-20-18)19-12-8-14-21-13-7-5-9-17(21)2/h16-20H,3-15H2,1-2H3
InChIKeyBJRIFQAKOOTXKM-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.15
Rot. Bonds7

About 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine

1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine (PubChem CID 79541130) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
PubChem CID79541130
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCCN1CCCCC1C
InChIInChI=1S/C18H37N3/c1-16(15-18-10-4-3-6-11-20-18)19-12-8-14-21-13-7-5-9-17(21)2/h16-20H,3-15H2,1-2H3
InChIKeyBJRIFQAKOOTXKM-UHFFFAOYSA-N
XLogP3.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.15
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

1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonylpropan-2-amine
CID 64631728
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 43085200

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine (CID 79541130) is 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine is CC(CC1CCCCCN1)NCCCN1CCCCC1C.
What is the InChIKey of 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine?
The InChIKey is BJRIFQAKOOTXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(15-18-10-4-3-6-11-20-18)19-12-8-14-21-13-7-5-9-17(21)2/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine?
1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine has a molecular weight of 295.51 g/mol, XLogP of 3.15, 7 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-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 79541130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).