1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine

C9H22N2 — CID 154626432

IUPAC1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
SMILESCCCNC(NCC)C(C)C
InChIInChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3
InChIKeyZHZMBHDKPLSYFH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.58
Rot. Bonds6

About 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine

1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine (PubChem CID 154626432) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
PubChem CID154626432
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
SMILESCCCNC(NCC)C(C)C
InChIInChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3
InChIKeyZHZMBHDKPLSYFH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
1-N-ethyl-2,2-dimethyl-1-N'-propylpropane-1,1-diamine
CID 154626474
1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
1-(propylamino)ethanethiol
CID 23019004
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
CID 59694519
CID 59694519
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
N-(1-ethoxyethyl)propan-1-amine
CID 23317827

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine (CID 154626432) is 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine is CCCNC(NCC)C(C)C.
What is the InChIKey of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The InChIKey is ZHZMBHDKPLSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine is sourced from PubChem (CID 154626432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).