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

C19H37N — CID 135070130

IUPACN,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCCCN(CCCC)CCC(C)[C@H]1CC=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/t18?,19-/m0/s1
InChIKeyIOHUMOBFWAGHJM-GGYWPGCISA-N
MW279.51 g/mol
LogP5.66
Rot. Bonds10

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

N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (PubChem CID 135070130) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
PubChem CID135070130
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCCCN(CCCC)CCC(C)[C@H]1CC=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/t18?,19-/m0/s1
InChIKeyIOHUMOBFWAGHJM-GGYWPGCISA-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'}

Analyze N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine with MolForge

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Related Compounds

3-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]-N-methyl-N-prop-2-enylpropan-1-amine
CID 72199012
N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
4-Cyclohexyl-1,2,3,6-tetrahydro-1-methylpyridine
CID 129268
Xestoproxamine C, (rel)-
CID 52936554
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
(4S,12S,13S,27S,29S)-4-methyl-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriacont-23-ene
CID 162869489
N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 11117679
Dioleylpropyl trimethylammonium chloride
CID 129829602
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The IUPAC name of N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (CID 135070130) is N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.
What is the SMILES notation for N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The canonical SMILES for N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is CCCCN(CCCC)CCC(C)[C@H]1CC=C(C)CC1.
What is the InChIKey of N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The InChIKey is IOHUMOBFWAGHJM-GGYWPGCISA-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/t18?,19-/m0/s1.
What are the key properties of N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
N,N-dibutyl-3-[(1R)-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-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is sourced from PubChem (CID 135070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).