(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine

C9H17NO — CID 118181224

IUPAC(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine
SMILESC=C/C(=C/C)NCCCOC
InChIInChI=1S/C9H17NO/c1-4-9(5-2)10-7-6-8-11-3/h4-5,10H,1,6-8H2,2-3H3/b9-5-
InChIKeySZQANTDAODVASO-UITAMQMPSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds6

About (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine

(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine (PubChem CID 118181224) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine
PubChem CID118181224
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine
SMILESC=C/C(=C/C)NCCCOC
InChIInChI=1S/C9H17NO/c1-4-9(5-2)10-7-6-8-11-3/h4-5,10H,1,6-8H2,2-3H3/b9-5-
InChIKeySZQANTDAODVASO-UITAMQMPSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
3-methoxypropylurea
CID 2064040
(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
CID 110839216
4-(3-methoxypropylamino)pent-3-en-2-one
CID 139163309
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine (CID 118181224) is (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine is C=C/C(=C/C)NCCCOC.
What is the InChIKey of (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine?
The InChIKey is SZQANTDAODVASO-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(5-2)10-7-6-8-11-3/h4-5,10H,1,6-8H2,2-3H3/b9-5-.
What are the key properties of (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine?
(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine is sourced from PubChem (CID 118181224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).