1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane

C29H58N2 — CID 69225763

IUPAC1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
SMILESCC(CN1CCCCCCCCCCCCC1)N1CCCCCCCCCCCCC1
InChIInChI=1S/C29H58N2/c1-29(31-26-22-18-14-10-6-3-7-11-15-19-23-27-31)28-30-24-20-16-12-8-4-2-5-9-13-17-21-25-30/h29H,2-28H2,1H3
InChIKeyHGOQCXJUKUOKRF-UHFFFAOYSA-N
MW434.80 g/mol
LogP8.59
Rot. Bonds3

About 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane

1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane (PubChem CID 69225763) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane.

Molecular Properties

Compound Name1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
PubChem CID69225763
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC Name1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
SMILESCC(CN1CCCCCCCCCCCCC1)N1CCCCCCCCCCCCC1
InChIInChI=1S/C29H58N2/c1-29(31-26-22-18-14-10-6-3-7-11-15-19-23-27-31)28-30-24-20-16-12-8-4-2-5-9-13-17-21-25-30/h29H,2-28H2,1H3
InChIKeyHGOQCXJUKUOKRF-UHFFFAOYSA-N
XLogP8.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-methylpentan-2-yl)pyrrolidine
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azane;1-(2-methylpropyl)pyrrolidine
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1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
CID 82511442
1-(2-chloropropyl)pyrrolidine
CID 3020097
1-(4,4-dimethylpentan-2-yl)azepane
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4-[4-[(2R)-2-pyrrolidin-1-ylpropyl]piperazin-1-yl]benzonitrile
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1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane?
The IUPAC name of 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane (CID 69225763) is 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane.
What is the SMILES notation for 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane?
The canonical SMILES for 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane is CC(CN1CCCCCCCCCCCCC1)N1CCCCCCCCCCCCC1.
What is the InChIKey of 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane?
The InChIKey is HGOQCXJUKUOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2/c1-29(31-26-22-18-14-10-6-3-7-11-15-19-23-27-31)28-30-24-20-16-12-8-4-2-5-9-13-17-21-25-30/h29H,2-28H2,1H3.
What are the key properties of 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane?
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane has a molecular weight of 434.80 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane is sourced from PubChem (CID 69225763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).