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

C14H25NO — CID 102648236

IUPACN-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C14H25NO/c1-12(13-9-5-6-11-16-13)8-7-10-15-14(2,3)4/h8-9,15H,5-7,10-11H2,1-4H3
InChIKeyDSMUINOBSIGAEE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.41
Rot. Bonds4

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

N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine (PubChem CID 102648236) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
PubChem CID102648236
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)C1=CCCCO1
InChIInChI=1S/C14H25NO/c1-12(13-9-5-6-11-16-13)8-7-10-15-14(2,3)4/h8-9,15H,5-7,10-11H2,1-4H3
InChIKeyDSMUINOBSIGAEE-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine (CID 102648236) is N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)C1=CCCCO1.
What is the InChIKey of N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
The InChIKey is DSMUINOBSIGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(13-9-5-6-11-16-13)8-7-10-15-14(2,3)4/h8-9,15H,5-7,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine?
N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,4-dihydro-2H-pyran-6-yl)pent-3-en-1-amine is sourced from PubChem (CID 102648236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).