2-N-propan-2-yl-1-N-propylpropane-1,2-diamine

C9H22N2 — CID 62569751

IUPAC2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NC(C)C
InChIInChI=1S/C9H22N2/c1-5-6-10-7-9(4)11-8(2)3/h8-11H,5-7H2,1-4H3
InChIKeyJEOSWIIBHYTIRC-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.37
Rot. Bonds6

About 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine

2-N-propan-2-yl-1-N-propylpropane-1,2-diamine (PubChem CID 62569751) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
PubChem CID62569751
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NC(C)C
InChIInChI=1S/C9H22N2/c1-5-6-10-7-9(4)11-8(2)3/h8-11H,5-7H2,1-4H3
InChIKeyJEOSWIIBHYTIRC-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propylpropan-1-amine
CID 520943
1-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 62569750
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
trimethyl(propylaminomethyl)phosphanium
CID 167202945
N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine
CID 167692749
1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N,2-dipropylpentan-1-amine
CID 62530512
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine (CID 62569751) is 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine is CCCNCC(C)NC(C)C.
What is the InChIKey of 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The InChIKey is JEOSWIIBHYTIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-6-10-7-9(4)11-8(2)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62569751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).