1,2-dimethyl-azacyclotetradecane

C15H31N — CID 70834681

IUPAC1,2-dimethyl-azacyclotetradecane
SMILESCC1CCCCCCCCCCCCN1C
InChIInChI=1S/C15H31N/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h15H,3-14H2,1-2H3
InChIKeyVKXOJQAQFJHMTM-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.61
Rot. Bonds

About 1,2-dimethyl-azacyclotetradecane

1,2-dimethyl-azacyclotetradecane (PubChem CID 70834681) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1,2-dimethyl-azacyclotetradecane.

Molecular Properties

Compound Name1,2-dimethyl-azacyclotetradecane
PubChem CID70834681
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1,2-dimethyl-azacyclotetradecane
SMILESCC1CCCCCCCCCCCCN1C
InChIInChI=1S/C15H31N/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h15H,3-14H2,1-2H3
InChIKeyVKXOJQAQFJHMTM-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 16388
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CID 16224
Lauryldimethylamine
CID 8168
Didecyldimethylammonium
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Cyclohexyldiethylamine
CID 61571
N-Methyl-N-octyl-1-octanamine
CID 78202
Mecetronium
CID 31281
Trioctylamine
CID 14227
Dodecyltrimethylammonium
CID 8153
Octyltrimethylammonium bromide
CID 74964
1-Decanamine, N,N-didecyl-
CID 14049
N,N-Dimethyl-N-decylamine
CID 70711

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-azacyclotetradecane?
The IUPAC name of 1,2-dimethyl-azacyclotetradecane (CID 70834681) is 1,2-dimethyl-azacyclotetradecane.
What is the SMILES notation for 1,2-dimethyl-azacyclotetradecane?
The canonical SMILES for 1,2-dimethyl-azacyclotetradecane is CC1CCCCCCCCCCCCN1C.
What is the InChIKey of 1,2-dimethyl-azacyclotetradecane?
The InChIKey is VKXOJQAQFJHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-15-13-11-9-7-5-3-4-6-8-10-12-14-16(15)2/h15H,3-14H2,1-2H3.
What are the key properties of 1,2-dimethyl-azacyclotetradecane?
1,2-dimethyl-azacyclotetradecane has a molecular weight of 225.42 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-azacyclotetradecane is sourced from PubChem (CID 70834681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).