(1-dodecylpiperidin-2-yl)methanamine

C18H38N2 — CID 63405140

IUPAC(1-dodecylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCCCCN1CCCCC1CN
InChIInChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-20-16-13-11-14-18(20)17-19/h18H,2-17,19H2,1H3
InChIKeyXJPVXBSCMMWHCH-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.72
Rot. Bonds12

About (1-dodecylpiperidin-2-yl)methanamine

(1-dodecylpiperidin-2-yl)methanamine (PubChem CID 63405140) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is (1-dodecylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-dodecylpiperidin-2-yl)methanamine
PubChem CID63405140
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name(1-dodecylpiperidin-2-yl)methanamine
SMILESCCCCCCCCCCCCN1CCCCC1CN
InChIInChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-20-16-13-11-14-18(20)17-19/h18H,2-17,19H2,1H3
InChIKeyXJPVXBSCMMWHCH-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.72
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

(1-dodecylazepan-2-yl)methanamine
CID 116640397
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
(1-butylazepan-2-yl)methanamine
CID 116640391
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
1-dodecyl-2-ethylpiperidine
CID 171569899
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
2-butyl-1-hexylpiperidine
CID 171569565
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
1-pentyl-2-propylpiperidine
CID 54429991
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
2-ethyl-1-undecylpyrrolidine
CID 171569857

Frequently Asked Questions

What is the IUPAC name of (1-dodecylpiperidin-2-yl)methanamine?
The IUPAC name of (1-dodecylpiperidin-2-yl)methanamine (CID 63405140) is (1-dodecylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-dodecylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-dodecylpiperidin-2-yl)methanamine is CCCCCCCCCCCCN1CCCCC1CN.
What is the InChIKey of (1-dodecylpiperidin-2-yl)methanamine?
The InChIKey is XJPVXBSCMMWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-12-15-20-16-13-11-14-18(20)17-19/h18H,2-17,19H2,1H3.
What are the key properties of (1-dodecylpiperidin-2-yl)methanamine?
(1-dodecylpiperidin-2-yl)methanamine has a molecular weight of 282.52 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecylpiperidin-2-yl)methanamine is sourced from PubChem (CID 63405140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).