3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine

C12H26N2 — CID 62416971

IUPAC3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
SMILESCCC(C)N(C)C(C)CCNC1CC1
InChIInChI=1S/C12H26N2/c1-5-10(2)14(4)11(3)8-9-13-12-6-7-12/h10-13H,5-9H2,1-4H3
InChIKeyOIJFERQVTRGXJY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine

3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine (PubChem CID 62416971) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
PubChem CID62416971
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
SMILESCCC(C)N(C)C(C)CCNC1CC1
InChIInChI=1S/C12H26N2/c1-5-10(2)14(4)11(3)8-9-13-12-6-7-12/h10-13H,5-9H2,1-4H3
InChIKeyOIJFERQVTRGXJY-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
CID 55072495
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
3-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62985090
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
CID 63865613
1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine
CID 62832769
1-N-cyclopropyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 62439541
N-(4-methylhexyl)cyclopropanamine
CID 62529631
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine (CID 62416971) is 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine is CCC(C)N(C)C(C)CCNC1CC1.
What is the InChIKey of 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The InChIKey is OIJFERQVTRGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10(2)14(4)11(3)8-9-13-12-6-7-12/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 62416971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).