N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine

C15H34N2 — CID 62411413

IUPACN-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(C)CNC(C)C)C(C)CC
InChIInChI=1S/C15H34N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyKPPFAGLMQHAFLQ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds10

About N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine

N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62411413) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62411413
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(C)CNC(C)C)C(C)CC
InChIInChI=1S/C15H34N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyKPPFAGLMQHAFLQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43165831
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62427389
2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62420464
1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
5-ethyl-2-methyl-N-propan-2-ylnonan-1-amine
CID 64666042
4-ethyl-2-methyl-N-propan-2-yloctan-1-amine
CID 63496025
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 62411413) is N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine is CCCCN(CC(C)CNC(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KPPFAGLMQHAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-9-10-17(15(6)8-2)12-14(5)11-16-13(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62411413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).