N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine

C16H32N2 — CID 170569567

IUPACN-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCCC(CCCCC(C)C)C1)NC
InChIInChI=1S/C16H32N2/c1-14(2)8-5-6-9-16-10-7-11-18(13-16)12-15(3)17-4/h14,16-17H,3,5-13H2,1-2,4H3
InChIKeyCHVYHRWYJDNRRQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.65
Rot. Bonds8

About N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine

N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine (PubChem CID 170569567) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine
PubChem CID170569567
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCCC(CCCCC(C)C)C1)NC
InChIInChI=1S/C16H32N2/c1-14(2)8-5-6-9-16-10-7-11-18(13-16)12-15(3)17-4/h14,16-17H,3,5-13H2,1-2,4H3
InChIKeyCHVYHRWYJDNRRQ-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.65
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

N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
13-methyltetradecylcyclopentane
CID 123698808
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143
4-methylpentylcyclopentane
CID 523530

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine?
The IUPAC name of N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine (CID 170569567) is N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine is C=C(CN1CCCC(CCCCC(C)C)C1)NC.
What is the InChIKey of N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine?
The InChIKey is CHVYHRWYJDNRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)8-5-6-9-16-10-7-11-18(13-16)12-15(3)17-4/h14,16-17H,3,5-13H2,1-2,4H3.
What are the key properties of N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine?
N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(5-methylhexyl)piperidin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 170569567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).