1-(3-methyloxan-4-yl)-N-propylheptan-1-amine

C16H33NO — CID 114241913

IUPAC1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1CCOCC1C
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-16(17-11-5-2)15-10-12-18-13-14(15)3/h14-17H,4-13H2,1-3H3
InChIKeySQDQOORVSUJNDU-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds9

About 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine

1-(3-methyloxan-4-yl)-N-propylheptan-1-amine (PubChem CID 114241913) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
PubChem CID114241913
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1CCOCC1C
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-16(17-11-5-2)15-10-12-18-13-14(15)3/h14-17H,4-13H2,1-3H3
InChIKeySQDQOORVSUJNDU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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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Related Compounds

1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
CID 114241922
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine (CID 114241913) is 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)C1CCOCC1C.
What is the InChIKey of 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine?
The InChIKey is SQDQOORVSUJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-8-9-16(17-11-5-2)15-10-12-18-13-14(15)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine?
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-4-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 114241913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).