(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine

C10H19N — CID 174019086

IUPAC(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
SMILESC=C(C)C[C@H](C)/C(=C\C)CN
InChIInChI=1S/C10H19N/c1-5-10(7-11)9(4)6-8(2)3/h5,9H,2,6-7,11H2,1,3-4H3/b10-5-/t9-/m0/s1
InChIKeyLCFXAICXMJBNRF-QFQXNISHSA-N
MW153.27 g/mol
LogP2.49
Rot. Bonds4

About (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine

(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine (PubChem CID 174019086) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine.

Molecular Properties

Compound Name(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
PubChem CID174019086
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
SMILESC=C(C)C[C@H](C)/C(=C\C)CN
InChIInChI=1S/C10H19N/c1-5-10(7-11)9(4)6-8(2)3/h5,9H,2,6-7,11H2,1,3-4H3/b10-5-/t9-/m0/s1
InChIKeyLCFXAICXMJBNRF-QFQXNISHSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.49
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

(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
3,5-dimethylhex-5-en-1-amine
CID 81013069
2,4-dimethylpent-1-ene;ethane
CID 143336990
2,5-dimethylhex-5-en-3-amine
CID 79177176
N,2,5-trimethylhexa-1,5-dien-3-amine
CID 130348735
6-methylhept-6-ene-2,4-diol
CID 57030596
pent-4-enyl (2R)-2,4-dimethylpent-4-enoate
CID 135013012
4-ethylidene-2,6-dimethylheptane
CID 102206987
4-methyl-2-methylidenepentan-1-amine
CID 55284045
2,4-dimethylnona-1,7-dien-5-ylhydrazine
CID 167096899
(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene
CID 145367319

Frequently Asked Questions

What is the IUPAC name of (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine?
The IUPAC name of (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine (CID 174019086) is (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine.
What is the SMILES notation for (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine?
The canonical SMILES for (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine is C=C(C)C[C@H](C)/C(=C\C)CN.
What is the InChIKey of (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine?
The InChIKey is LCFXAICXMJBNRF-QFQXNISHSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(7-11)9(4)6-8(2)3/h5,9H,2,6-7,11H2,1,3-4H3/b10-5-/t9-/m0/s1.
What are the key properties of (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine?
(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine is sourced from PubChem (CID 174019086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).