3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine

C10H22N2 — CID 63878750

IUPAC3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
SMILESCC(N)C(C)N(C)CC1CC1C
InChIInChI=1S/C10H22N2/c1-7-5-10(7)6-12(4)9(3)8(2)11/h7-10H,5-6,11H2,1-4H3
InChIKeySLPBTZKTAHVFCN-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.31
Rot. Bonds4

About 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine

3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine (PubChem CID 63878750) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
PubChem CID63878750
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
SMILESCC(N)C(C)N(C)CC1CC1C
InChIInChI=1S/C10H22N2/c1-7-5-10(7)6-12(4)9(3)8(2)11/h7-10H,5-6,11H2,1-4H3
InChIKeySLPBTZKTAHVFCN-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine (CID 63878750) is 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine is CC(N)C(C)N(C)CC1CC1C.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine?
The InChIKey is SLPBTZKTAHVFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-7-5-10(7)6-12(4)9(3)8(2)11/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine?
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine is sourced from PubChem (CID 63878750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).