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

C15H30N2 — CID 62429335

IUPAC1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CNC1CC1)C(C)C
InChIInChI=1S/C15H30N2/c1-4-9-17(11-13-5-6-13)15(12(2)3)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyKSKUEIRWCTWSGQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds9

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

1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine (PubChem CID 62429335) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
PubChem CID62429335
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CNC1CC1)C(C)C
InChIInChI=1S/C15H30N2/c1-4-9-17(11-13-5-6-13)15(12(2)3)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyKSKUEIRWCTWSGQ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 55088001
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63938927
1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine (CID 62429335) is 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(CNC1CC1)C(C)C.
What is the InChIKey of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine?
The InChIKey is KSKUEIRWCTWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-9-17(11-13-5-6-13)15(12(2)3)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine?
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62429335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).