ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine

C15H37N — CID 164863401

IUPACethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
SMILESCC.CCC(C)C.CNC(C)(C)CC(C)C
InChIInChI=1S/C8H19N.C5H12.C2H6/c1-7(2)6-8(3,4)9-5;1-4-5(2)3;1-2/h7,9H,6H2,1-5H3;5H,4H2,1-3H3;1-2H3
InChIKeyMMGVXMOPDRORPP-UHFFFAOYSA-N
MW231.47 g/mol
LogP5.11
Rot. Bonds4

About ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine

ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine (PubChem CID 164863401) has the molecular formula C15H37N and a molecular weight of 231.47 g/mol. Its IUPAC name is ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine.

Molecular Properties

Compound Nameethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
PubChem CID164863401
Molecular FormulaC15H37N
Molecular Weight231.47 g/mol
Exact Mass231.29
IUPAC Nameethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
SMILESCC.CCC(C)C.CNC(C)(C)CC(C)C
InChIInChI=1S/C8H19N.C5H12.C2H6/c1-7(2)6-8(3,4)9-5;1-4-5(2)3;1-2/h7,9H,6H2,1-5H3;5H,4H2,1-3H3;1-2H3
InChIKeyMMGVXMOPDRORPP-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-N,2-dimethylpentan-2-amine
CID 88922055
(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 98041220
4-N-ethyl-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 143372866
4,4-difluoro-N,2-dimethylbutan-2-amine
CID 134163311
CID 164983427
CID 164983427
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
2,4,4,5,6-pentamethyloctane
CID 57491109
ethane;methane;2-methylbutane;propane
CID 162144061
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
N-tert-butyl-2,4-dimethylhexan-2-amine
CID 90827522
butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
CID 176918653

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine?
The IUPAC name of ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine (CID 164863401) is ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine.
What is the SMILES notation for ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine?
The canonical SMILES for ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine is CC.CCC(C)C.CNC(C)(C)CC(C)C.
What is the InChIKey of ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine?
The InChIKey is MMGVXMOPDRORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H12.C2H6/c1-7(2)6-8(3,4)9-5;1-4-5(2)3;1-2/h7,9H,6H2,1-5H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine?
ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine has a molecular weight of 231.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine is sourced from PubChem (CID 164863401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).