3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine

C16H34N2 — CID 81012962

IUPAC3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
SMILESCCCN(CC1CC1)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-6-9-18(12-16-7-8-16)15(5)14(4)11-17-10-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyITHTUIZXCNDICQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds10

About 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine

3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine (PubChem CID 81012962) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
PubChem CID81012962
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
SMILESCCCN(CC1CC1)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-6-9-18(12-16-7-8-16)15(5)14(4)11-17-10-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyITHTUIZXCNDICQ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62413388
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
1-N-cyclopentyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 55088001
3-N-cyclopropyl-3-N-(cyclopropylmethyl)-1-N-ethyl-2-methylbutane-1,3-diamine
CID 81019609
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine (CID 81012962) is 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine is CCCN(CC1CC1)C(C)C(C)CNCC(C)C.
What is the InChIKey of 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
The InChIKey is ITHTUIZXCNDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-18(12-16-7-8-16)15(5)14(4)11-17-10-13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine?
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 81012962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).