3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine

C11H24N2 — CID 62433399

IUPAC3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)C(C)C1CC1
InChIInChI=1S/C11H24N2/c1-9(7-8-12-3)13(4)10(2)11-5-6-11/h9-12H,5-8H2,1-4H3
InChIKeyJTNMUWBOZDCKFC-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.71
Rot. Bonds6

About 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine

3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine (PubChem CID 62433399) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine
PubChem CID62433399
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine
SMILESCNCCC(C)N(C)C(C)C1CC1
InChIInChI=1S/C11H24N2/c1-9(7-8-12-3)13(4)10(2)11-5-6-11/h9-12H,5-8H2,1-4H3
InChIKeyJTNMUWBOZDCKFC-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409133
4-N-(1-cyclopropylethyl)-4-N-methylpentane-2,4-diamine
CID 64707187
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62568461
(1S)-1-cyclopropyl-3-(methylamino)propan-1-ol
CID 129371678
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
1-cyclopropyl-N-ethyl-N-methylethanamine
CID 126664134
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
N-(1-cyclopropylethyl)-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62257527
1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
CID 64821335
1-cyclopropyl-N,N-dimethylethanamine
CID 10129924

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine (CID 62433399) is 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine is CNCCC(C)N(C)C(C)C1CC1.
What is the InChIKey of 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
The InChIKey is JTNMUWBOZDCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(7-8-12-3)13(4)10(2)11-5-6-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine?
3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 62433399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).