N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine

C18H45N3 — CID 158144247

IUPACN,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
SMILESCCC(C)CN.CCC(C)CN(C)C.CCC(C)CNC
InChIInChI=1S/C7H17N.C6H15N.C5H13N/c1-5-7(2)6-8(3)4;1-4-6(2)5-7-3;1-3-5(2)4-6/h7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3
InChIKeyFUHWPMODRRHYNJ-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.84
Rot. Bonds8

About N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine

N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine (PubChem CID 158144247) has the molecular formula C18H45N3 and a molecular weight of 303.58 g/mol. Its IUPAC name is N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
PubChem CID158144247
Molecular FormulaC18H45N3
Molecular Weight303.58 g/mol
Exact Mass303.36
IUPAC NameN,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
SMILESCCC(C)CN.CCC(C)CN(C)C.CCC(C)CNC
InChIInChI=1S/C7H17N.C6H15N.C5H13N/c1-5-7(2)6-8(3)4;1-4-6(2)5-7-3;1-3-5(2)4-6/h7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3
InChIKeyFUHWPMODRRHYNJ-UHFFFAOYSA-N
XLogP3.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915866
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
2-methyl-N,N-bis(methylamino)butan-1-amine
CID 139482995
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine
CID 158468123
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine?
The IUPAC name of N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine (CID 158144247) is N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine.
What is the SMILES notation for N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine?
The canonical SMILES for N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine is CCC(C)CN.CCC(C)CN(C)C.CCC(C)CNC.
What is the InChIKey of N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine?
The InChIKey is FUHWPMODRRHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C6H15N.C5H13N/c1-5-7(2)6-8(3)4;1-4-6(2)5-7-3;1-3-5(2)4-6/h7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;5H,3-4,6H2,1-2H3.
What are the key properties of N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine?
N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine has a molecular weight of 303.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine is sourced from PubChem (CID 158144247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).