N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine

C14H27N — CID 107899807

IUPACN-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C14H27N/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h10,13-15H,4-9,11H2,1-3H3
InChIKeyROBWZDKPNXUPEV-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds5

About N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine

N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine (PubChem CID 107899807) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
PubChem CID107899807
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C14H27N/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h10,13-15H,4-9,11H2,1-3H3
InChIKeyROBWZDKPNXUPEV-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)thian-4-amine
CID 103522690
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899968
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
2-[[(4-propylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103245657
N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide
CID 142230784
2-[(4-propylcyclohexyl)amino]ethylurea
CID 83111793
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
N-(3-methylbut-2-enyl)cyclopent-3-en-1-amine
CID 106547301

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine (CID 107899807) is N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC=C(C)C)CC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine?
The InChIKey is ROBWZDKPNXUPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h10,13-15H,4-9,11H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine?
N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 107899807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).