(1-heptyl-6-methylpiperidin-2-yl)methanamine

C14H30N2 — CID 63554513

IUPAC(1-heptyl-6-methylpiperidin-2-yl)methanamine
SMILESCCCCCCCN1C(C)CCCC1CN
InChIInChI=1S/C14H30N2/c1-3-4-5-6-7-11-16-13(2)9-8-10-14(16)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyHXZGTMMJAUQHGH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds7

About (1-heptyl-6-methylpiperidin-2-yl)methanamine

(1-heptyl-6-methylpiperidin-2-yl)methanamine (PubChem CID 63554513) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (1-heptyl-6-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-heptyl-6-methylpiperidin-2-yl)methanamine
PubChem CID63554513
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(1-heptyl-6-methylpiperidin-2-yl)methanamine
SMILESCCCCCCCN1C(C)CCCC1CN
InChIInChI=1S/C14H30N2/c1-3-4-5-6-7-11-16-13(2)9-8-10-14(16)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyHXZGTMMJAUQHGH-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
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-hexyl-2,6-dimethylpiperidine
CID 6428887
[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
[6-methyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64565715
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
(1-dodecylazepan-2-yl)methanamine
CID 116640397
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
CID 106725692
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
8-heptyl-8-azabicyclo[3.2.1]octane
CID 138507431
[1-(5-methoxypentyl)-6-methylpiperidin-2-yl]methanol
CID 110016897
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
CID 82849763

Frequently Asked Questions

What is the IUPAC name of (1-heptyl-6-methylpiperidin-2-yl)methanamine?
The IUPAC name of (1-heptyl-6-methylpiperidin-2-yl)methanamine (CID 63554513) is (1-heptyl-6-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-heptyl-6-methylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-heptyl-6-methylpiperidin-2-yl)methanamine is CCCCCCCN1C(C)CCCC1CN.
What is the InChIKey of (1-heptyl-6-methylpiperidin-2-yl)methanamine?
The InChIKey is HXZGTMMJAUQHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-4-5-6-7-11-16-13(2)9-8-10-14(16)12-15/h13-14H,3-12,15H2,1-2H3.
What are the key properties of (1-heptyl-6-methylpiperidin-2-yl)methanamine?
(1-heptyl-6-methylpiperidin-2-yl)methanamine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptyl-6-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 63554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).