N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal

C24H45NO — CID 142282725

IUPACN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal
SMILESC=C(C)C=O.CCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1
InChIInChI=1S/C20H39N.C4H6O/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3;1-4(2)3-5/h17-20H,4-16H2,1-3H3;3H,1H2,2H3
InChIKeyHVBJMVHXCCXWMP-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.50
Rot. Bonds8

About N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal

N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal (PubChem CID 142282725) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal
PubChem CID142282725
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC NameN,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal
SMILESC=C(C)C=O.CCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1
InChIInChI=1S/C20H39N.C4H6O/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3;1-4(2)3-5/h17-20H,4-16H2,1-3H3;3H,1H2,2H3
InChIKeyHVBJMVHXCCXWMP-UHFFFAOYSA-N
XLogP6.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
CID 142282726
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 145235002
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
[4-hydroxy-1-[4-(4-pentylcyclohexyl)cyclohexyl]butan-2-yl] 2-methylprop-2-enoate
CID 134244301
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
N-methyl-4-(4-pentylcyclohexyl)aniline;2-methylprop-2-enal
CID 142281511

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal?
The IUPAC name of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal (CID 142282725) is N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal?
The canonical SMILES for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal is C=C(C)C=O.CCCCCC1CCC(C2CCC(CN(C)C)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal?
The InChIKey is HVBJMVHXCCXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N.C4H6O/c1-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(11-15-20)16-21(2)3;1-4(2)3-5/h17-20H,4-16H2,1-3H3;3H,1H2,2H3.
What are the key properties of N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal?
N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal has a molecular weight of 363.63 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal is sourced from PubChem (CID 142282725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).