1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine

C12H24N2 — CID 62428340

IUPAC1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)CC1CC1
InChIInChI=1S/C12H24N2/c1-3-12(8-13-11-6-7-11)14(2)9-10-4-5-10/h10-13H,3-9H2,1-2H3
InChIKeyZNFJQRKYHGQADR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds7

About 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine

1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine (PubChem CID 62428340) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
PubChem CID62428340
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)CC1CC1
InChIInChI=1S/C12H24N2/c1-3-12(8-13-11-6-7-11)14(2)9-10-4-5-10/h10-13H,3-9H2,1-2H3
InChIKeyZNFJQRKYHGQADR-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine (CID 62428340) is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine is CCC(CNC1CC1)N(C)CC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is ZNFJQRKYHGQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12(8-13-11-6-7-11)14(2)9-10-4-5-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine?
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62428340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).