N-(2-azidoethyl)-N-methylcycloheptanamine

C10H20N4 — CID 61396550

IUPACN-(2-azidoethyl)-N-methylcycloheptanamine
SMILESCN(CCN=[N+]=[N-])C1CCCCCC1
InChIInChI=1S/C10H20N4/c1-14(9-8-12-13-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHUHXJGREOMBYGZ-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.95
Rot. Bonds4

About N-(2-azidoethyl)-N-methylcycloheptanamine

N-(2-azidoethyl)-N-methylcycloheptanamine (PubChem CID 61396550) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-(2-azidoethyl)-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-(2-azidoethyl)-N-methylcycloheptanamine
PubChem CID61396550
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-(2-azidoethyl)-N-methylcycloheptanamine
SMILESCN(CCN=[N+]=[N-])C1CCCCCC1
InChIInChI=1S/C10H20N4/c1-14(9-8-12-13-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHUHXJGREOMBYGZ-UHFFFAOYSA-N
XLogP2.95
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.95
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)-4-ethyl-N-methylcyclohexan-1-amine
CID 61449503
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
2-[2-[cyclopentyl(methyl)amino]ethyl]guanidine
CID 63316564
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
3-azidopropylcyclohexane
CID 66545466
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide
CID 63316536
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-N-methylcycloheptanamine?
The IUPAC name of N-(2-azidoethyl)-N-methylcycloheptanamine (CID 61396550) is N-(2-azidoethyl)-N-methylcycloheptanamine.
What is the SMILES notation for N-(2-azidoethyl)-N-methylcycloheptanamine?
The canonical SMILES for N-(2-azidoethyl)-N-methylcycloheptanamine is CN(CCN=[N+]=[N-])C1CCCCCC1.
What is the InChIKey of N-(2-azidoethyl)-N-methylcycloheptanamine?
The InChIKey is HUHXJGREOMBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-14(9-8-12-13-11)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-azidoethyl)-N-methylcycloheptanamine?
N-(2-azidoethyl)-N-methylcycloheptanamine has a molecular weight of 196.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-N-methylcycloheptanamine is sourced from PubChem (CID 61396550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).