(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine

C10H21NO — CID 88943258

IUPAC(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine
SMILESC/C=C\CCNC(CC)COC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-11-10(5-2)9-12-3/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyCQKATQYWJCECMO-XQRVVYSFSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine

(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine (PubChem CID 88943258) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine
PubChem CID88943258
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine
SMILESC/C=C\CCNC(CC)COC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-11-10(5-2)9-12-3/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-
InChIKeyCQKATQYWJCECMO-XQRVVYSFSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 145908099
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CID 54355890
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
1-ethoxy-N-ethylpent-4-en-2-amine
CID 65670324
3-[(E)-but-2-enyl]morpholine
CID 87714144
(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
2-ethenoxy-N-prop-2-enylpent-1-en-3-amine
CID 88757679
(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
CID 121451095
(3Z)-N-(1-methoxypropan-2-yl)-2,2-dimethylhexa-3,5-dien-3-amine
CID 135181449
(3E,5Z)-N-(2-ethoxyethyl)-3-methylhepta-3,5-dien-2-amine
CID 138703319
3-[(Z)-but-1-enyl]morpholine;ethane;propane
CID 144566525
ethane;3-[(Z)-prop-1-enyl]morpholine
CID 144566527

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine (CID 88943258) is (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine is C/C=C\CCNC(CC)COC.
What is the InChIKey of (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine?
The InChIKey is CQKATQYWJCECMO-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-8-11-10(5-2)9-12-3/h4,6,10-11H,5,7-9H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine?
(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 88943258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).