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

C18H34N2 — CID 104806557

IUPACN,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine
SMILESCC#CCCC(NCCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H34N2/c1-6-8-9-10-17(19-15-7-2)18(20(4)5)13-11-16(3)12-14-18/h16-17,19H,7,9-15H2,1-5H3
InChIKeyQLSQNJIOCDWUKU-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds7

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

N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine (PubChem CID 104806557) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine
PubChem CID104806557
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine
SMILESCC#CCCC(NCCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H34N2/c1-6-8-9-10-17(19-15-7-2)18(20(4)5)13-11-16(3)12-14-18/h16-17,19H,7,9-15H2,1-5H3
InChIKeyQLSQNJIOCDWUKU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine (CID 104806557) is N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine is CC#CCCC(NCCC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine?
The InChIKey is QLSQNJIOCDWUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-6-8-9-10-17(19-15-7-2)18(20(4)5)13-11-16(3)12-14-18/h16-17,19H,7,9-15H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[1-(propylamino)hex-4-ynyl]cyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 7 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-(propylamino)hex-4-ynyl]cyclohexan-1-amine is sourced from PubChem (CID 104806557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).