ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine

C15H35N — CID 162282620

IUPACethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine
SMILESCC.CC(C)C.CC(C)CC=CNC(C)C
InChIInChI=1S/C9H19N.C4H10.C2H6/c1-8(2)6-5-7-10-9(3)4;1-4(2)3;1-2/h5,7-10H,6H2,1-4H3;4H,1-3H3;1-2H3
InChIKeyDXUHIMGVLNPUNJ-UHFFFAOYSA-N
MW229.45 g/mol
LogP5.23
Rot. Bonds4

About ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine

ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine (PubChem CID 162282620) has the molecular formula C15H35N and a molecular weight of 229.45 g/mol. Its IUPAC name is ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine.

Molecular Properties

Compound Nameethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine
PubChem CID162282620
Molecular FormulaC15H35N
Molecular Weight229.45 g/mol
Exact Mass229.28
IUPAC Nameethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine
SMILESCC.CC(C)C.CC(C)CC=CNC(C)C
InChIInChI=1S/C9H19N.C4H10.C2H6/c1-8(2)6-5-7-10-9(3)4;1-4(2)3;1-2/h5,7-10H,6H2,1-4H3;4H,1-3H3;1-2H3
InChIKeyDXUHIMGVLNPUNJ-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine?
The IUPAC name of ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine (CID 162282620) is ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine.
What is the SMILES notation for ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine?
The canonical SMILES for ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine is CC.CC(C)C.CC(C)CC=CNC(C)C.
What is the InChIKey of ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine?
The InChIKey is DXUHIMGVLNPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C4H10.C2H6/c1-8(2)6-5-7-10-9(3)4;1-4(2)3;1-2/h5,7-10H,6H2,1-4H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine?
ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine has a molecular weight of 229.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;4-methyl-N-propan-2-ylpent-1-en-1-amine is sourced from PubChem (CID 162282620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).