(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine

C9H17NO — CID 90048463

IUPAC(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine
SMILESC=CCOC(=C)[C@@H](N)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-11-8(4)9(10)7(2)3/h5,7,9H,1,4,6,10H2,2-3H3/t9-/m0/s1
InChIKeyYSHZRUGRTYFNRF-VIFPVBQESA-N
MW155.24 g/mol
LogP1.69
Rot. Bonds5

About (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine

(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine (PubChem CID 90048463) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine
PubChem CID90048463
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine
SMILESC=CCOC(=C)[C@@H](N)C(C)C
InChIInChI=1S/C9H17NO/c1-5-6-11-8(4)9(10)7(2)3/h5,7,9H,1,4,6,10H2,2-3H3/t9-/m0/s1
InChIKeyYSHZRUGRTYFNRF-VIFPVBQESA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine?
The IUPAC name of (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine (CID 90048463) is (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine.
What is the SMILES notation for (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine?
The canonical SMILES for (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine is C=CCOC(=C)[C@@H](N)C(C)C.
What is the InChIKey of (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine?
The InChIKey is YSHZRUGRTYFNRF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-11-8(4)9(10)7(2)3/h5,7,9H,1,4,6,10H2,2-3H3/t9-/m0/s1.
What are the key properties of (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine?
(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine is sourced from PubChem (CID 90048463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).