N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine

C19H37N — CID 102454968

IUPACN,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
SMILESCCCCN(CCCC)CCC(C)C1CC=C(C)CC1
InChIInChI=1S/C19H37N/c1-5-7-14-20(15-8-6-2)16-13-18(4)19-11-9-17(3)10-12-19/h9,18-19H,5-8,10-16H2,1-4H3
InChIKeyIOHUMOBFWAGHJM-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.66
Rot. Bonds10

About N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine

N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine (PubChem CID 102454968) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
PubChem CID102454968
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
SMILESCCCCN(CCCC)CCC(C)C1CC=C(C)CC1
InChIInChI=1S/C19H37N/c1-5-7-14-20(15-8-6-2)16-13-18(4)19-11-9-17(3)10-12-19/h9,18-19H,5-8,10-16H2,1-4H3
InChIKeyIOHUMOBFWAGHJM-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine?
The IUPAC name of N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine (CID 102454968) is N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine.
What is the SMILES notation for N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine?
The canonical SMILES for N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine is CCCCN(CCCC)CCC(C)C1CC=C(C)CC1.
What is the InChIKey of N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine?
The InChIKey is IOHUMOBFWAGHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-7-14-20(15-8-6-2)16-13-18(4)19-11-9-17(3)10-12-19/h9,18-19H,5-8,10-16H2,1-4H3.
What are the key properties of N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine?
N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine is sourced from PubChem (CID 102454968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).