N-ethylcyclohexanamine

C8H17N — CID 21609

IUPACN-ethylcyclohexanamine
SMILESCCNC1CCCCC1
InChIInChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyAGVKXDPPPSLISR-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.93
Rot. Bonds2

About N-ethylcyclohexanamine

N-ethylcyclohexanamine (PubChem CID 21609) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-ethylcyclohexanamine
PubChem CID21609
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethylcyclohexanamine
SMILESCCNC1CCCCC1
InChIInChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyAGVKXDPPPSLISR-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylpiperidine
CID 7974
Dicyclohexylamine
CID 7582
(+)-Coniine
CID 441072
2-Propylpiperidine
CID 9985
N-Methylcyclohexylamine
CID 7514
Dihexylamine
CID 8920
Cyclohexylisopropylamine
CID 62386
N-Cyclohexyl-1,3-propanediamine
CID 18718
Diheptylamine
CID 75580
N-Butyl cyclohexylamine
CID 24946
Dicyclohexylamine hydrochloride
CID 2793652
(S)-(+)-2-Methylpiperidine
CID 6427443

Frequently Asked Questions

What is the IUPAC name of N-ethylcyclohexanamine?
The IUPAC name of N-ethylcyclohexanamine (CID 21609) is N-ethylcyclohexanamine.
What is the SMILES notation for N-ethylcyclohexanamine?
The canonical SMILES for N-ethylcyclohexanamine is CCNC1CCCCC1.
What is the InChIKey of N-ethylcyclohexanamine?
The InChIKey is AGVKXDPPPSLISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-ethylcyclohexanamine?
N-ethylcyclohexanamine has a molecular weight of 127.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclohexanamine is sourced from PubChem (CID 21609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).