3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene

C23H50N2 — CID 144742356

IUPAC3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene
SMILESC.C=C.C=CCC(C)(C)C(C)C.CNCCCC1(CN)CCCCC1
InChIInChI=1S/C11H24N2.C9H18.C2H4.CH4/c1-13-9-5-8-11(10-12)6-3-2-4-7-11;1-6-7-9(4,5)8(2)3;1-2;/h13H,2-10,12H2,1H3;6,8H,1,7H2,2-5H3;1-2H2;1H4
InChIKeyVTWWFXWWKIFLSF-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.58
Rot. Bonds8

About 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene

3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene (PubChem CID 144742356) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene
PubChem CID144742356
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Name3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene
SMILESC.C=C.C=CCC(C)(C)C(C)C.CNCCCC1(CN)CCCCC1
InChIInChI=1S/C11H24N2.C9H18.C2H4.CH4/c1-13-9-5-8-11(10-12)6-3-2-4-7-11;1-6-7-9(4,5)8(2)3;1-2;/h13H,2-10,12H2,1H3;6,8H,1,7H2,2-5H3;1-2H2;1H4
InChIKeyVTWWFXWWKIFLSF-UHFFFAOYSA-N
XLogP6.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene (CID 144742356) is 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene is C.C=C.C=CCC(C)(C)C(C)C.CNCCCC1(CN)CCCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene?
The InChIKey is VTWWFXWWKIFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C9H18.C2H4.CH4/c1-13-9-5-8-11(10-12)6-3-2-4-7-11;1-6-7-9(4,5)8(2)3;1-2;/h13H,2-10,12H2,1H3;6,8H,1,7H2,2-5H3;1-2H2;1H4.
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene?
3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene has a molecular weight of 354.67 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]-N-methylpropan-1-amine;ethene;methane;4,4,5-trimethylhex-1-ene is sourced from PubChem (CID 144742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).