3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine

C12H26N2 — CID 79409133

IUPAC3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-9(8-13-4)10(2)14(5)11(3)12-6-7-12/h9-13H,6-8H2,1-5H3
InChIKeyPBPLJHFAESNAEK-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds6

About 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine

3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine (PubChem CID 79409133) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
PubChem CID79409133
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-9(8-13-4)10(2)14(5)11(3)12-6-7-12/h9-13H,6-8H2,1-5H3
InChIKeyPBPLJHFAESNAEK-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011276
3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413928
3-N-(1-cyclopropylethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62433399
3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79408924
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413799
3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 81015890
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62568461
1-cyclopropyl-N,N-dimethylethanamine
CID 10129924

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine (CID 79409133) is 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine is CNCC(C)C(C)N(C)C(C)C1CC1.
What is the InChIKey of 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The InChIKey is PBPLJHFAESNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(8-13-4)10(2)14(5)11(3)12-6-7-12/h9-13H,6-8H2,1-5H3.
What are the key properties of 3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 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,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 79409133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).