N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

C17H31NO — CID 106654060

IUPACN-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1(C)CCCCO1
InChIInChI=1S/C17H31NO/c1-3-13-18-16(15-10-6-4-5-7-11-15)17(2)12-8-9-14-19-17/h10,16,18H,3-9,11-14H2,1-2H3
InChIKeyMCZLQQJHFOUNMP-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.20
Rot. Bonds5

About N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 106654060) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID106654060
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1(C)CCCCO1
InChIInChI=1S/C17H31NO/c1-3-13-18-16(15-10-6-4-5-7-11-15)17(2)12-8-9-14-19-17/h10,16,18H,3-9,11-14H2,1-2H3
InChIKeyMCZLQQJHFOUNMP-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.20
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

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CID 106655073
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3,3-Di(cyclohexen-1-yl)morpholine
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(4R)-spiro[2-azabicyclo[2.2.2]oct-5-ene-7,2'-oxane]
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CID 164031575
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212633
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212634
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212813
N-[cyclopenten-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212814
N-[cyclopenten-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 62212991

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 106654060) is N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)C1(C)CCCCO1.
What is the InChIKey of N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is MCZLQQJHFOUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-13-18-16(15-10-6-4-5-7-11-15)17(2)12-8-9-14-19-17/h10,16,18H,3-9,11-14H2,1-2H3.
What are the key properties of N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.20, 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-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106654060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).