2-(2-aminoethylamino)cycloheptane-1-carbonitrile

C10H19N3 — CID 62742996

IUPAC2-(2-aminoethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCN
InChIInChI=1S/C10H19N3/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7,11H2
InChIKeyDTQBCDQQQQWSIB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-aminoethylamino)cycloheptane-1-carbonitrile

2-(2-aminoethylamino)cycloheptane-1-carbonitrile (PubChem CID 62742996) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(2-aminoethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-aminoethylamino)cycloheptane-1-carbonitrile
PubChem CID62742996
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(2-aminoethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCN
InChIInChI=1S/C10H19N3/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7,11H2
InChIKeyDTQBCDQQQQWSIB-UHFFFAOYSA-N
XLogP1.01
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
2-[2-(3-hydroxypropylsulfanyl)ethylamino]cycloheptane-1-carbonitrile
CID 114171871
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-(prop-2-enylamino)cyclohexane-1-carbonitrile
CID 62743491
2-(7-methyloctylamino)cyclohexane-1-carbonitrile
CID 107814920
2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
CID 62741850
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2-aminoethylamino)cycloheptane-1-carbonitrile (CID 62742996) is 2-(2-aminoethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2-aminoethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2-aminoethylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCCN.
What is the InChIKey of 2-(2-aminoethylamino)cycloheptane-1-carbonitrile?
The InChIKey is DTQBCDQQQQWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7,11H2.
What are the key properties of 2-(2-aminoethylamino)cycloheptane-1-carbonitrile?
2-(2-aminoethylamino)cycloheptane-1-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 62742996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).