4-methyl-2-propoxypent-1-en-3-amine

C9H19NO — CID 154671444

IUPAC4-methyl-2-propoxypent-1-en-3-amine
SMILESC=C(OCCC)C(N)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-11-8(4)9(10)7(2)3/h7,9H,4-6,10H2,1-3H3
InChIKeyDSBGBDTUOJYZCY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds5

About 4-methyl-2-propoxypent-1-en-3-amine

4-methyl-2-propoxypent-1-en-3-amine (PubChem CID 154671444) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-2-propoxypent-1-en-3-amine.

Molecular Properties

Compound Name4-methyl-2-propoxypent-1-en-3-amine
PubChem CID154671444
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-2-propoxypent-1-en-3-amine
SMILESC=C(OCCC)C(N)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-11-8(4)9(10)7(2)3/h7,9H,4-6,10H2,1-3H3
InChIKeyDSBGBDTUOJYZCY-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
CID 163597620
2-(3,3-Dimethylpent-1-en-2-yloxy)ethanamine
CID 18717509
2-(3-Aminopent-1-en-2-yloxy)pent-1-en-3-amine
CID 87195393
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(3R)-4-methyl-2-(3-methylbut-2-en-2-yloxy)pent-1-en-3-amine
CID 89383877
(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
CID 89383878
CID 89772357
CID 89772357
(3S)-4-methyl-2-prop-2-enoxypent-1-en-3-amine
CID 90048463
(3R)-2-methoxy-4-methylpent-1-en-3-amine
CID 118521566
N,4-dimethyl-2-propan-2-yloxypent-1-en-3-amine
CID 123675374
2-Ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine
CID 123680738
(3S)-4-methyl-2-[(2-methylpropan-2-yl)oxy]pent-1-en-3-amine
CID 124115253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxypent-1-en-3-amine?
The IUPAC name of 4-methyl-2-propoxypent-1-en-3-amine (CID 154671444) is 4-methyl-2-propoxypent-1-en-3-amine.
What is the SMILES notation for 4-methyl-2-propoxypent-1-en-3-amine?
The canonical SMILES for 4-methyl-2-propoxypent-1-en-3-amine is C=C(OCCC)C(N)C(C)C.
What is the InChIKey of 4-methyl-2-propoxypent-1-en-3-amine?
The InChIKey is DSBGBDTUOJYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-11-8(4)9(10)7(2)3/h7,9H,4-6,10H2,1-3H3.
What are the key properties of 4-methyl-2-propoxypent-1-en-3-amine?
4-methyl-2-propoxypent-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxypent-1-en-3-amine is sourced from PubChem (CID 154671444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).