4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine

C10H17NO — CID 102648221

IUPAC4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
SMILESCC(=CCCN)C1=CCCCO1
InChIInChI=1S/C10H17NO/c1-9(5-4-7-11)10-6-2-3-8-12-10/h5-6H,2-4,7-8,11H2,1H3
InChIKeyXAMVZOAKQNEXAH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.98
Rot. Bonds3

About 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine

4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine (PubChem CID 102648221) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
PubChem CID102648221
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
SMILESCC(=CCCN)C1=CCCCO1
InChIInChI=1S/C10H17NO/c1-9(5-4-7-11)10-6-2-3-8-12-10/h5-6H,2-4,7-8,11H2,1H3
InChIKeyXAMVZOAKQNEXAH-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)oxy-3,3-difluoropropan-1-amine
CID 178109605
1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67233341
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
4-Methoxy-2-methylcyclohexa-2,4-dien-1-amine
CID 70224953
2-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70310736
2,4-Dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine
CID 70892512
(2E,3Z)-5-cyclohexa-1,3-dien-1-yloxy-2-ethylidenehexa-3,5-dien-1-amine
CID 88274875
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
4-Cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
CID 89073833
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
3-(Cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine
CID 89153855

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine (CID 102648221) is 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine is CC(=CCCN)C1=CCCCO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The InChIKey is XAMVZOAKQNEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(5-4-7-11)10-6-2-3-8-12-10/h5-6H,2-4,7-8,11H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine is sourced from PubChem (CID 102648221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).