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

C7H16N2 — CID 21062194

IUPACN'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CNCCN
InChIInChI=1S/C7H16N2/c1-6-4-7(6)5-9-3-2-8/h6-7,9H,2-5,8H2,1H3
InChIKeyJVXWWMBSHOSITN-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.19
Rot. Bonds4

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

N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 21062194) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID21062194
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CNCCN
InChIInChI=1S/C7H16N2/c1-6-4-7(6)5-9-3-2-8/h6-7,9H,2-5,8H2,1H3
InChIKeyJVXWWMBSHOSITN-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 21062194) is N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CC1CC1CNCCN.
What is the InChIKey of N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is JVXWWMBSHOSITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-4-7(6)5-9-3-2-8/h6-7,9H,2-5,8H2,1H3.
What are the key properties of N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 21062194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).