1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine

C13H28N2 — CID 62040333

IUPAC1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
SMILESCCCNC(CC)CN(CCC)C1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-12(6-3)11-15(10-5-2)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyMVHLAKRVCBTNGU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds9

About 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine

1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine (PubChem CID 62040333) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
PubChem CID62040333
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
SMILESCCCNC(CC)CN(CCC)C1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-12(6-3)11-15(10-5-2)13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyMVHLAKRVCBTNGU-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
N',1-dicyclopropyl-N'-propylethane-1,2-diamine
CID 63912333
N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
CID 64995969
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine (CID 62040333) is 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine is CCCNC(CC)CN(CCC)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine?
The InChIKey is MVHLAKRVCBTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-14-12(6-3)11-15(10-5-2)13-7-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine?
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 9 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,2-N-dipropylbutane-1,2-diamine is sourced from PubChem (CID 62040333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).