N-heptyl-11-nonoxyundec-1-en-2-amine

C27H55NO — CID 155016930

IUPACN-heptyl-11-nonoxyundec-1-en-2-amine
SMILESC=C(CCCCCCCCCOCCCCCCCCC)NCCCCCCC
InChIInChI=1S/C27H55NO/c1-4-6-8-10-13-17-21-25-29-26-22-18-14-11-12-15-19-23-27(3)28-24-20-16-9-7-5-2/h28H,3-26H2,1-2H3
InChIKeyPXFHYQOUNRVPRQ-UHFFFAOYSA-N
MW409.74 g/mol
LogP8.95
Rot. Bonds25

About N-heptyl-11-nonoxyundec-1-en-2-amine

N-heptyl-11-nonoxyundec-1-en-2-amine (PubChem CID 155016930) has the molecular formula C27H55NO and a molecular weight of 409.74 g/mol. Its IUPAC name is N-heptyl-11-nonoxyundec-1-en-2-amine.

Molecular Properties

Compound NameN-heptyl-11-nonoxyundec-1-en-2-amine
PubChem CID155016930
Molecular FormulaC27H55NO
Molecular Weight409.74 g/mol
Exact Mass409.43
IUPAC NameN-heptyl-11-nonoxyundec-1-en-2-amine
SMILESC=C(CCCCCCCCCOCCCCCCCCC)NCCCCCCC
InChIInChI=1S/C27H55NO/c1-4-6-8-10-13-17-21-25-29-26-22-18-14-11-12-15-19-23-27(3)28-24-20-16-9-7-5-2/h28H,3-26H2,1-2H3
InChIKeyPXFHYQOUNRVPRQ-UHFFFAOYSA-N
XLogP8.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 58.95
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-heptyl-11-nonoxyundec-1-en-2-amine?
The IUPAC name of N-heptyl-11-nonoxyundec-1-en-2-amine (CID 155016930) is N-heptyl-11-nonoxyundec-1-en-2-amine.
What is the SMILES notation for N-heptyl-11-nonoxyundec-1-en-2-amine?
The canonical SMILES for N-heptyl-11-nonoxyundec-1-en-2-amine is C=C(CCCCCCCCCOCCCCCCCCC)NCCCCCCC.
What is the InChIKey of N-heptyl-11-nonoxyundec-1-en-2-amine?
The InChIKey is PXFHYQOUNRVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO/c1-4-6-8-10-13-17-21-25-29-26-22-18-14-11-12-15-19-23-27(3)28-24-20-16-9-7-5-2/h28H,3-26H2,1-2H3.
What are the key properties of N-heptyl-11-nonoxyundec-1-en-2-amine?
N-heptyl-11-nonoxyundec-1-en-2-amine has a molecular weight of 409.74 g/mol, XLogP of 8.95, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-11-nonoxyundec-1-en-2-amine is sourced from PubChem (CID 155016930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).