ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine

C15H35N — CID 157040656

IUPACethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC.CC(C)CCN(C)C(C)(C)CC(C)C
InChIInChI=1S/C13H29N.C2H6/c1-11(2)8-9-14(7)13(5,6)10-12(3)4;1-2/h11-12H,8-10H2,1-7H3;1-2H3
InChIKeyTXDMIVMQKDQHJK-UHFFFAOYSA-N
MW229.45 g/mol
LogP4.82
Rot. Bonds6

About ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine

ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine (PubChem CID 157040656) has the molecular formula C15H35N and a molecular weight of 229.45 g/mol. Its IUPAC name is ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine.

Molecular Properties

Compound Nameethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
PubChem CID157040656
Molecular FormulaC15H35N
Molecular Weight229.45 g/mol
Exact Mass229.28
IUPAC Nameethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC.CC(C)CCN(C)C(C)(C)CC(C)C
InChIInChI=1S/C13H29N.C2H6/c1-11(2)8-9-14(7)13(5,6)10-12(3)4;1-2/h11-12H,8-10H2,1-7H3;1-2H3
InChIKeyTXDMIVMQKDQHJK-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62534549
N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157398427
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine
CID 158265084
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
CID 64999998
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
N,2,5-trimethyl-N-(3,3,4-trimethylpentyl)hexan-2-amine
CID 170732877

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?
The IUPAC name of ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine (CID 157040656) is ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine.
What is the SMILES notation for ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?
The canonical SMILES for ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine is CC.CC(C)CCN(C)C(C)(C)CC(C)C.
What is the InChIKey of ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?
The InChIKey is TXDMIVMQKDQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C2H6/c1-11(2)8-9-14(7)13(5,6)10-12(3)4;1-2/h11-12H,8-10H2,1-7H3;1-2H3.
What are the key properties of ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine has a molecular weight of 229.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 157040656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).