[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine

C13H27N3 — CID 65075116

IUPAC[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCCC(N2CCC(CN)CC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-2-3-13(6-8-15)16-9-4-12(11-14)5-10-16/h12-13H,2-11,14H2,1H3
InChIKeyWCHRCTDPQSXRMY-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds2

About [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine

[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine (PubChem CID 65075116) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
PubChem CID65075116
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCCC(N2CCC(CN)CC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-2-3-13(6-8-15)16-9-4-12(11-14)5-10-16/h12-13H,2-11,14H2,1H3
InChIKeyWCHRCTDPQSXRMY-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
1-(1-methylazepan-4-yl)piperidin-4-amine
CID 65074908
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
3-[1-(1-methylazepan-4-yl)piperidin-4-yl]oxypropan-1-amine
CID 79732816
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
[1-(thian-3-yl)piperidin-4-yl]methanamine
CID 62873474
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine (CID 65075116) is [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine is CN1CCCC(N2CCC(CN)CC2)CC1.
What is the InChIKey of [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine?
The InChIKey is WCHRCTDPQSXRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-7-2-3-13(6-8-15)16-9-4-12(11-14)5-10-16/h12-13H,2-11,14H2,1H3.
What are the key properties of [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine?
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 65075116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).