(1-tridecan-6-ylazetidin-3-yl)methanamine

C17H36N2 — CID 134177714

IUPAC(1-tridecan-6-ylazetidin-3-yl)methanamine
SMILESCCCCCCCC(CCCCC)N1CC(CN)C1
InChIInChI=1S/C17H36N2/c1-3-5-7-8-10-12-17(11-9-6-4-2)19-14-16(13-18)15-19/h16-17H,3-15,18H2,1-2H3
InChIKeyVRFRYSHPNLLFQT-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.19
Rot. Bonds12

About (1-tridecan-6-ylazetidin-3-yl)methanamine

(1-tridecan-6-ylazetidin-3-yl)methanamine (PubChem CID 134177714) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is (1-tridecan-6-ylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-tridecan-6-ylazetidin-3-yl)methanamine
PubChem CID134177714
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name(1-tridecan-6-ylazetidin-3-yl)methanamine
SMILESCCCCCCCC(CCCCC)N1CC(CN)C1
InChIInChI=1S/C17H36N2/c1-3-5-7-8-10-12-17(11-9-6-4-2)19-14-16(13-18)15-19/h16-17H,3-15,18H2,1-2H3
InChIKeyVRFRYSHPNLLFQT-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
(3S,4R)-3,4-dimethoxy-1-pentadecan-8-ylpyrrolidine
CID 126672077
1-octadecan-4-ylaziridine
CID 87223215
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
4-hexadecan-8-ylmorpholine
CID 126489366

Frequently Asked Questions

What is the IUPAC name of (1-tridecan-6-ylazetidin-3-yl)methanamine?
The IUPAC name of (1-tridecan-6-ylazetidin-3-yl)methanamine (CID 134177714) is (1-tridecan-6-ylazetidin-3-yl)methanamine.
What is the SMILES notation for (1-tridecan-6-ylazetidin-3-yl)methanamine?
The canonical SMILES for (1-tridecan-6-ylazetidin-3-yl)methanamine is CCCCCCCC(CCCCC)N1CC(CN)C1.
What is the InChIKey of (1-tridecan-6-ylazetidin-3-yl)methanamine?
The InChIKey is VRFRYSHPNLLFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-5-7-8-10-12-17(11-9-6-4-2)19-14-16(13-18)15-19/h16-17H,3-15,18H2,1-2H3.
What are the key properties of (1-tridecan-6-ylazetidin-3-yl)methanamine?
(1-tridecan-6-ylazetidin-3-yl)methanamine has a molecular weight of 268.49 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tridecan-6-ylazetidin-3-yl)methanamine is sourced from PubChem (CID 134177714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).