N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine

C16H32N2 — CID 79074031

IUPACN,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
SMILESC=CCCCC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-6-7-8-11-15(17-3)16(18(4)5)12-9-10-14(2)13-16/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyLKBBBZRURMJZHG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds7

About N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine (PubChem CID 79074031) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
PubChem CID79074031
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
SMILESC=CCCCC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-6-7-8-11-15(17-3)16(18(4)5)12-9-10-14(2)13-16/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyLKBBBZRURMJZHG-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine (CID 79074031) is N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine is C=CCCCC(NC)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine?
The InChIKey is LKBBBZRURMJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-7-8-11-15(17-3)16(18(4)5)12-9-10-14(2)13-16/h6,14-15,17H,1,7-13H2,2-5H3.
What are the key properties of N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine is sourced from PubChem (CID 79074031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).