N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine

C14H26N2 — CID 79074998

IUPACN,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
SMILESC#CCC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H26N2/c1-6-8-13(15-3)14(16(4)5)10-7-9-12(2)11-14/h1,12-13,15H,7-11H2,2-5H3
InChIKeyIVJPSBWSXSFGDT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds4

About N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine (PubChem CID 79074998) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
PubChem CID79074998
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
SMILESC#CCC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C14H26N2/c1-6-8-13(15-3)14(16(4)5)10-7-9-12(2)11-14/h1,12-13,15H,7-11H2,2-5H3
InChIKeyIVJPSBWSXSFGDT-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
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,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine (CID 79074998) is N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine is C#CCC(NC)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine?
The InChIKey is IVJPSBWSXSFGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-8-13(15-3)14(16(4)5)10-7-9-12(2)11-14/h1,12-13,15H,7-11H2,2-5H3.
What are the key properties of N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 4 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)but-3-ynyl]cyclohexan-1-amine is sourced from PubChem (CID 79074998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).