1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine

C13H25N3 — CID 130306059

IUPAC1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CC2NCC2CC2)C1
InChIInChI=1S/C13H25N3/c14-10-2-1-3-11(6-10)16-13-7-12(13)15-8-9-4-5-9/h9-13,15-16H,1-8,14H2
InChIKeyOETHHQWBDPGBHP-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.99
Rot. Bonds5

About 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine

1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine (PubChem CID 130306059) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine
PubChem CID130306059
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CC2NCC2CC2)C1
InChIInChI=1S/C13H25N3/c14-10-2-1-3-11(6-10)16-13-7-12(13)15-8-9-4-5-9/h9-13,15-16H,1-8,14H2
InChIKeyOETHHQWBDPGBHP-UHFFFAOYSA-N
XLogP0.99
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine (CID 130306059) is 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine is NC1CCCC(NC2CC2NCC2CC2)C1.
What is the InChIKey of 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine?
The InChIKey is OETHHQWBDPGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-10-2-1-3-11(6-10)16-13-7-12(13)15-8-9-4-5-9/h9-13,15-16H,1-8,14H2.
What are the key properties of 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine?
1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine has a molecular weight of 223.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclopropylmethylamino)cyclopropyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 130306059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).