1-dodecylazepane

C18H37N — CID 3366129

IUPAC1-dodecylazepane
SMILESCCCCCCCCCCCCN1CCCCCC1
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h2-18H2,1H3
InChIKeyGUSTUIJJPMXTTI-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.78
Rot. Bonds11

About 1-dodecylazepane

1-dodecylazepane (PubChem CID 3366129) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-dodecylazepane.

Molecular Properties

Compound Name1-dodecylazepane
PubChem CID3366129
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-dodecylazepane
SMILESCCCCCCCCCCCCN1CCCCCC1
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h2-18H2,1H3
InChIKeyGUSTUIJJPMXTTI-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-heptylazetidine
CID 134402356
1-tridecylpiperidine tetrafluoroborate
CID 174702126
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
acetic acid;1-nonylpiperidine
CID 175874764
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-dodecylazepane?
The IUPAC name of 1-dodecylazepane (CID 3366129) is 1-dodecylazepane.
What is the SMILES notation for 1-dodecylazepane?
The canonical SMILES for 1-dodecylazepane is CCCCCCCCCCCCN1CCCCCC1.
What is the InChIKey of 1-dodecylazepane?
The InChIKey is GUSTUIJJPMXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h2-18H2,1H3.
What are the key properties of 1-dodecylazepane?
1-dodecylazepane has a molecular weight of 267.50 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylazepane is sourced from PubChem (CID 3366129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).