N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine

C17H42N2 — CID 167692749

IUPACN,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine
SMILESCCC(C)C.CCCNCC(C)C.CNCC(C)C
InChIInChI=1S/C7H17N.C5H13N.C5H12/c1-4-5-8-6-7(2)3;1-5(2)4-6-3;1-4-5(2)3/h7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3
InChIKeyXERVSUPHTSKHTE-UHFFFAOYSA-N
MW274.54 g/mol
LogP4.56
Rot. Bonds7

About N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine

N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine (PubChem CID 167692749) has the molecular formula C17H42N2 and a molecular weight of 274.54 g/mol. Its IUPAC name is N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine
PubChem CID167692749
Molecular FormulaC17H42N2
Molecular Weight274.54 g/mol
Exact Mass274.33
IUPAC NameN,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine
SMILESCCC(C)C.CCCNCC(C)C.CNCC(C)C
InChIInChI=1S/C7H17N.C5H13N.C5H12/c1-4-5-8-6-7(2)3;1-5(2)4-6-3;1-4-5(2)3/h7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3
InChIKeyXERVSUPHTSKHTE-UHFFFAOYSA-N
XLogP4.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 54.56
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
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 62569751
3-methylpentane;N-methyl-N'-propylmethanediamine
CID 91531226
dodecane;ethanamine;2-methyl-N-propylpropan-1-amine;octane;propane;propan-2-ol
CID 167519402
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
CID 175939227
CID 175939227
trimethyl(propylaminomethyl)phosphanium
CID 167202945
2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine?
The IUPAC name of N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine (CID 167692749) is N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine?
The canonical SMILES for N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine is CCC(C)C.CCCNCC(C)C.CNCC(C)C.
What is the InChIKey of N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine?
The InChIKey is XERVSUPHTSKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C5H13N.C5H12/c1-4-5-8-6-7(2)3;1-5(2)4-6-3;1-4-5(2)3/h7-8H,4-6H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine?
N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine has a molecular weight of 274.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 167692749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).