N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine

C19H40N2 — CID 79480266

IUPACN-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
SMILESCCCNCC1(CN(CC)CC(C)CC)CCCC(C)C1
InChIInChI=1S/C19H40N2/c1-6-12-20-15-19(11-9-10-18(5)13-19)16-21(8-3)14-17(4)7-2/h17-18,20H,6-16H2,1-5H3
InChIKeyHFIAEVCTFHXCEY-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds10

About N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine

N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine (PubChem CID 79480266) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
PubChem CID79480266
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
SMILESCCCNCC1(CN(CC)CC(C)CC)CCCC(C)C1
InChIInChI=1S/C19H40N2/c1-6-12-20-15-19(11-9-10-18(5)13-19)16-21(8-3)14-17(4)7-2/h17-18,20H,6-16H2,1-5H3
InChIKeyHFIAEVCTFHXCEY-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine (CID 79480266) is N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine is CCCNCC1(CN(CC)CC(C)CC)CCCC(C)C1.
What is the InChIKey of N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine?
The InChIKey is HFIAEVCTFHXCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-12-20-15-19(11-9-10-18(5)13-19)16-21(8-3)14-17(4)7-2/h17-18,20H,6-16H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine?
N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine is sourced from PubChem (CID 79480266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).