[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid

C14H24N2O2 — CID 135307784

IUPAC[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid
SMILESC=CCN(CC=C)C1(C)CCC(NC(=O)O)CC1
InChIInChI=1S/C14H24N2O2/c1-4-10-16(11-5-2)14(3)8-6-12(7-9-14)15-13(17)18/h4-5,12,15H,1-2,6-11H2,3H3,(H,17,18)
InChIKeyWSKNBHNUZHBXMR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds6

About [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid

[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid (PubChem CID 135307784) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid
PubChem CID135307784
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid
SMILESC=CCN(CC=C)C1(C)CCC(NC(=O)O)CC1
InChIInChI=1S/C14H24N2O2/c1-4-10-16(11-5-2)14(3)8-6-12(7-9-14)15-13(17)18/h4-5,12,15H,1-2,6-11H2,3H3,(H,17,18)
InChIKeyWSKNBHNUZHBXMR-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
(6,6-dimethylpiperidin-3-yl)carbamic acid
CID 174227842
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
2-[(4-hydroxycyclohexyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276890
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
4-[[ethyl(prop-2-enyl)carbamoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630332
[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
CID 121379155
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid?
The IUPAC name of [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid (CID 135307784) is [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid.
What is the SMILES notation for [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid?
The canonical SMILES for [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid is C=CCN(CC=C)C1(C)CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid?
The InChIKey is WSKNBHNUZHBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-10-16(11-5-2)14(3)8-6-12(7-9-14)15-13(17)18/h4-5,12,15H,1-2,6-11H2,3H3,(H,17,18).
What are the key properties of [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid?
[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid has a molecular weight of 252.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid is sourced from PubChem (CID 135307784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).