3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine

C11H24N2 — CID 81011652

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

About 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine

3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 81011652) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
PubChem CID81011652
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)C1CC1
InChIInChI=1S/C11H24N2/c1-5-12-8-9(2)10(3)13(4)11-6-7-11/h9-12H,5-8H2,1-4H3
InChIKeyFALPGVIHTQUZTD-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-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413928
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
CID 81019609
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413799
3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409031
3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79408924
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011772
3-N,2-dimethyl-3-N-(oxolan-3-yl)-1-N-propylbutane-1,3-diamine
CID 82754797
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227279
2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226991

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine (CID 81011652) is 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine is CCNCC(C)C(C)N(C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is FALPGVIHTQUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-12-8-9(2)10(3)13(4)11-6-7-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine?
3-N-cyclopropyl-1-N-ethyl-3-N,2-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-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 81011652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).