N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine

C16H29NO — CID 63015236

IUPACN-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C16H29NO/c1-2-11-17-16(15-10-7-12-18-13-15)14-8-5-3-4-6-9-14/h8,15-17H,2-7,9-13H2,1H3
InChIKeyMTLFFPYEYXRXBV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds5

About N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine (PubChem CID 63015236) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine
PubChem CID63015236
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C16H29NO/c1-2-11-17-16(15-10-7-12-18-13-15)14-8-5-3-4-6-9-14/h8,15-17H,2-7,9-13H2,1H3
InChIKeyMTLFFPYEYXRXBV-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-Methylcyclohexen-1-yl)-(oxolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 118657305
2-(1-Cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
CID 143554033
(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155149784
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
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N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
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CID 62904965

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine (CID 63015236) is N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)C1CCCOC1.
What is the InChIKey of N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is MTLFFPYEYXRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-11-17-16(15-10-7-12-18-13-15)14-8-5-3-4-6-9-14/h8,15-17H,2-7,9-13H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63015236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).