ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine

C14H35N — CID 143325011

IUPACethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
SMILESC/C=C(/CC)CC(C)C.CC.CC.CN
InChIInChI=1S/C9H18.2C2H6.CH5N/c1-5-9(6-2)7-8(3)4;3*1-2/h5,8H,6-7H2,1-4H3;2*1-2H3;2H2,1H3/b9-5-;;;
InChIKeyFXAKSKXBEIGMFR-WNRDOTPUSA-N
MW217.44 g/mol
LogP5.02
Rot. Bonds3

About ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine

ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine (PubChem CID 143325011) has the molecular formula C14H35N and a molecular weight of 217.44 g/mol. Its IUPAC name is ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine.

Molecular Properties

Compound Nameethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
PubChem CID143325011
Molecular FormulaC14H35N
Molecular Weight217.44 g/mol
Exact Mass217.28
IUPAC Nameethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
SMILESC/C=C(/CC)CC(C)C.CC.CC.CN
InChIInChI=1S/C9H18.2C2H6.CH5N/c1-5-9(6-2)7-8(3)4;3*1-2/h5,8H,6-7H2,1-4H3;2*1-2H3;2H2,1H3/b9-5-;;;
InChIKeyFXAKSKXBEIGMFR-WNRDOTPUSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500217.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102206987
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3-ethyl-5-methylhept-2-ene
CID 90962982
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
4-ethylidene-2-methyloctadecane
CID 173360395
2,4-dimethylpent-1-ene;ethane
CID 143336990
(E)-3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)pent-3-en-1-ol
CID 102122277
3-ethyl-8-methylnon-2-ene
CID 91177846
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
CID 178040036

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine?
The IUPAC name of ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine (CID 143325011) is ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine.
What is the SMILES notation for ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine?
The canonical SMILES for ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine is C/C=C(/CC)CC(C)C.CC.CC.CN.
What is the InChIKey of ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine?
The InChIKey is FXAKSKXBEIGMFR-WNRDOTPUSA-N. The full InChI is InChI=1S/C9H18.2C2H6.CH5N/c1-5-9(6-2)7-8(3)4;3*1-2/h5,8H,6-7H2,1-4H3;2*1-2H3;2H2,1H3/b9-5-;;;.
What are the key properties of ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine?
ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine has a molecular weight of 217.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine is sourced from PubChem (CID 143325011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).