2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

C12H26N2 — CID 62421973

IUPAC2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C1CC1)C(CNC)C(C)C
InChIInChI=1S/C12H26N2/c1-5-8-14(11-6-7-11)12(9-13-4)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPXQYKTHMTUULDY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds7

About 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine

2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (PubChem CID 62421973) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
PubChem CID62421973
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C1CC1)C(CNC)C(C)C
InChIInChI=1S/C12H26N2/c1-5-8-14(11-6-7-11)12(9-13-4)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPXQYKTHMTUULDY-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 62422117
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
2-N-cyclopropyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 83043131
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
N-(3-methylbutan-2-yl)-N-propylcyclobutanamine
CID 166157968
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62437164
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine (CID 62421973) is 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is CCCN(C1CC1)C(CNC)C(C)C.
What is the InChIKey of 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is PXQYKTHMTUULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-8-14(11-6-7-11)12(9-13-4)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine?
2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).