N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine

C11H22N4 — CID 61449503

IUPACN-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CCN=[N+]=[N-])CC1
InChIInChI=1S/C11H22N4/c1-3-10-4-6-11(7-5-10)15(2)9-8-13-14-12/h10-11H,3-9H2,1-2H3
InChIKeyDJUXUWAUHJSGHF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.20
Rot. Bonds5

About N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine

N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 61449503) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID61449503
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)CCN=[N+]=[N-])CC1
InChIInChI=1S/C11H22N4/c1-3-10-4-6-11(7-5-10)15(2)9-8-13-14-12/h10-11H,3-9H2,1-2H3
InChIKeyDJUXUWAUHJSGHF-UHFFFAOYSA-N
XLogP3.20
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethyl)-N-methylcycloheptanamine
CID 61396550
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine (CID 61449503) is N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(N(C)CCN=[N+]=[N-])CC1.
What is the InChIKey of N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is DJUXUWAUHJSGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-10-4-6-11(7-5-10)15(2)9-8-13-14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine?
N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61449503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).