N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine

C16H30N2 — CID 113374361

IUPACN,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
SMILESC#CCCCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H30N2/c1-6-7-8-9-15(17-3)16(18(4)5)12-10-14(2)11-13-16/h1,14-15,17H,7-13H2,2-5H3
InChIKeyXXYBZIIKYIQPAV-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds6

About N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine (PubChem CID 113374361) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
PubChem CID113374361
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
SMILESC#CCCCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H30N2/c1-6-7-8-9-15(17-3)16(18(4)5)12-10-14(2)11-13-16/h1,14-15,17H,7-13H2,2-5H3
InChIKeyXXYBZIIKYIQPAV-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine
CID 79070298
N,N,4-trimethyl-1-[1-(methylamino)pent-4-enyl]cyclohexan-1-amine
CID 79074440
N,N,4-trimethyl-1-[3-methyl-1-(methylamino)butyl]cyclohexan-1-amine
CID 79074140
1-(1-hydrazinylhexyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243536
1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
CID 82922643
1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79570647
N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011177
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-(1-aminobut-3-ynyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074584
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
CID 79074998
N,N-dimethyl-1-[4-methyl-1-(methylamino)pentyl]cyclopentan-1-amine
CID 79070834

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine (CID 113374361) is N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine is C#CCCCC(NC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine?
The InChIKey is XXYBZIIKYIQPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-7-8-9-15(17-3)16(18(4)5)12-10-14(2)11-13-16/h1,14-15,17H,7-13H2,2-5H3.
What are the key properties of N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine is sourced from PubChem (CID 113374361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).