N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine

C17H34N2 — CID 107010261

IUPACN-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
SMILESC=CCCCCCN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-5-6-7-8-11-19-12-9-10-17(15-19)14-18-13-16(2)3/h4,16-18H,1,5-15H2,2-3H3
InChIKeyFUQFGHNCAQJZTF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.69
Rot. Bonds10

About N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine

N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 107010261) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID107010261
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
SMILESC=CCCCCCN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-5-6-7-8-11-19-12-9-10-17(15-19)14-18-13-16(2)3/h4,16-18H,1,5-15H2,2-3H3
InChIKeyFUQFGHNCAQJZTF-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinepropanamine, N-[(3S)-3,7-dimethyl-6-octenyl]-2-methyl-
CID 6480552
2-(3-ethenyl-1-heptylpiperidin-4-yl)-N-methylethanamine
CID 17900720
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]-N-methylethanamine
CID 57142636
N-[(1-methylpiperidin-3-yl)methyl]prop-2-en-1-amine
CID 62141626
4-But-3-enylpiperidine
CID 69376606
3,5-Bis(prop-2-enyl)piperidin-4-amine
CID 69777645
N,1,2,2,3-pentakis(prop-2-enyl)piperidin-4-amine
CID 70613007
N,N'-bis(2-methylbutyl)-N,N'-bis[(Z)-octadec-9-enyl]butane-1,4-diamine;piperidine
CID 90704082
N,N'-bis(2-methylbutyl)-N,N'-bis[(E)-octadec-9-enyl]butane-1,4-diamine;piperidine
CID 91229980
2-Hept-1-en-4-yl-1,3-diazinane
CID 122525659
Hex-5-enyl-dimethyl-(2,2,6,6-tetramethylpiperidin-4-yl)azanium
CID 129055405
1-(1-tert-butylpiperidin-4-yl)-2-methyl-N-prop-2-enylpropan-2-amine
CID 129083216

Frequently Asked Questions

What is the IUPAC name of N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine (CID 107010261) is N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine is C=CCCCCCN1CCCC(CNCC(C)C)C1.
What is the InChIKey of N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is FUQFGHNCAQJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-5-6-7-8-11-19-12-9-10-17(15-19)14-18-13-16(2)3/h4,16-18H,1,5-15H2,2-3H3.
What are the key properties of N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine?
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107010261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).