4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine

C14H30N2 — CID 142229086

IUPAC4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine
SMILESCCC(C)C(CC)CNC1CCC(N)CC1
InChIInChI=1S/C14H30N2/c1-4-11(3)12(5-2)10-16-14-8-6-13(15)7-9-14/h11-14,16H,4-10,15H2,1-3H3
InChIKeyPDWMOKPJBPMUAG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds6

About 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine

4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine (PubChem CID 142229086) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine
PubChem CID142229086
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine
SMILESCCC(C)C(CC)CNC1CCC(N)CC1
InChIInChI=1S/C14H30N2/c1-4-11(3)12(5-2)10-16-14-8-6-13(15)7-9-14/h11-14,16H,4-10,15H2,1-3H3
InChIKeyPDWMOKPJBPMUAG-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
CID 81015534
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine (CID 142229086) is 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine is CCC(C)C(CC)CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine?
The InChIKey is PDWMOKPJBPMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-11(3)12(5-2)10-16-14-8-6-13(15)7-9-14/h11-14,16H,4-10,15H2,1-3H3.
What are the key properties of 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine?
4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-ethyl-3-methylpentyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 142229086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).