1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine

C12H26N2 — CID 78974367

IUPAC1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-11(13)9-14(12-5-6-12)8-7-10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeySVWZUZWSFZUJCX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds7

About 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine

1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine (PubChem CID 78974367) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
PubChem CID78974367
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H26N2/c1-4-11(13)9-14(12-5-6-12)8-7-10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeySVWZUZWSFZUJCX-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine (CID 78974367) is 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine is CCC(N)CN(CCC(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine?
The InChIKey is SVWZUZWSFZUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(13)9-14(12-5-6-12)8-7-10(2)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine?
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 78974367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).