ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine

C19H41N — CID 170948434

IUPACethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(CC(CC)CC)CC1.CC.CC
InChIInChI=1S/C15H29N.2C2H6/c1-5-13(6-2)11-14-7-9-15(10-8-14)16-12(3)4;2*1-2/h13-16H,3,5-11H2,1-2,4H3;2*1-2H3
InChIKeyNAVIFRQAUBMTMT-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.55
Rot. Bonds6

About ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine

ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 170948434) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID170948434
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Nameethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(CC(CC)CC)CC1.CC.CC
InChIInChI=1S/C15H29N.2C2H6/c1-5-13(6-2)11-14-7-9-15(10-8-14)16-12(3)4;2*1-2/h13-16H,3,5-11H2,1-2,4H3;2*1-2H3
InChIKeyNAVIFRQAUBMTMT-UHFFFAOYSA-N
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
CID 143486970
N-[[2-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647282
N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647300
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 58476300
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine
CID 67593365
8-cyclohexyl-5,5-dimethyl-N-prop-1-en-2-yloctan-1-amine
CID 68257574
trans-(1R,2R)-2-(aminomethyl)-N-prop-1-en-2-ylcyclohexan-1-amine
CID 69925388
N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
CID 70257222
N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333403
4-methyl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 89012749
N-(2-cycloundecylethyl)but-1-en-2-amine
CID 89191957
4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 122679841

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine (CID 170948434) is ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)NC1CCC(CC(CC)CC)CC1.CC.CC.
What is the InChIKey of ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is NAVIFRQAUBMTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.2C2H6/c1-5-13(6-2)11-14-7-9-15(10-8-14)16-12(3)4;2*1-2/h13-16H,3,5-11H2,1-2,4H3;2*1-2H3.
What are the key properties of ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine?
ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 170948434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).