N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine

C9H18N2 — CID 131227623

IUPACN'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine
SMILESCC1(C2(NCCN)CC2)CC1
InChIInChI=1S/C9H18N2/c1-8(2-3-8)9(4-5-9)11-7-6-10/h11H,2-7,10H2,1H3
InChIKeyJJMDUSOLHJZQGG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.87
Rot. Bonds4

About N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine

N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine (PubChem CID 131227623) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine
PubChem CID131227623
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine
SMILESCC1(C2(NCCN)CC2)CC1
InChIInChI=1S/C9H18N2/c1-8(2-3-8)9(4-5-9)11-7-6-10/h11H,2-7,10H2,1H3
InChIKeyJJMDUSOLHJZQGG-UHFFFAOYSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine (CID 131227623) is N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine is CC1(C2(NCCN)CC2)CC1.
What is the InChIKey of N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine?
The InChIKey is JJMDUSOLHJZQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2-3-8)9(4-5-9)11-7-6-10/h11H,2-7,10H2,1H3.
What are the key properties of N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine?
N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methylcyclopropyl)cyclopropyl]ethane-1,2-diamine is sourced from PubChem (CID 131227623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).