N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine

C17H39N3 — CID 138745530

IUPACN-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNCC(C)(C)CNC(C)C)CNC(C)C
InChIInChI=1S/C17H39N3/c1-9-17(8,13-20-15(4)5)12-18-10-16(6,7)11-19-14(2)3/h14-15,18-20H,9-13H2,1-8H3
InChIKeyGQVAPOMMHNWQKG-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.01
Rot. Bonds11

About N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 138745530) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID138745530
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCC(C)(CNCC(C)(C)CNC(C)C)CNC(C)C
InChIInChI=1S/C17H39N3/c1-9-17(8,13-20-15(4)5)12-18-10-16(6,7)11-19-14(2)3/h14-15,18-20H,9-13H2,1-8H3
InChIKeyGQVAPOMMHNWQKG-UHFFFAOYSA-N
XLogP3.01
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine with MolForge

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Related Compounds

2-(ethoxymethyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 103984597
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
CID 62968299
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258815
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
CID 113499938
2,2-dimethyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 79621622
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
CID 115906569

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 138745530) is N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine is CCC(C)(CNCC(C)(C)CNC(C)C)CNC(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GQVAPOMMHNWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-9-17(8,13-20-15(4)5)12-18-10-16(6,7)11-19-14(2)3/h14-15,18-20H,9-13H2,1-8H3.
What are the key properties of N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.01, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 138745530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).