2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine

C14H29N3 — CID 90206304

IUPAC2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine
SMILESCCN1CCCCCCCCCNC2C(N)C21
InChIInChI=1S/C14H29N3/c1-2-17-11-9-7-5-3-4-6-8-10-16-13-12(15)14(13)17/h12-14,16H,2-11,15H2,1H3
InChIKeyUCGRDYMJHUUIBM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.72
Rot. Bonds1

About 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine

2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine (PubChem CID 90206304) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine.

Molecular Properties

Compound Name2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine
PubChem CID90206304
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine
SMILESCCN1CCCCCCCCCNC2C(N)C21
InChIInChI=1S/C14H29N3/c1-2-17-11-9-7-5-3-4-6-8-10-16-13-12(15)14(13)17/h12-14,16H,2-11,15H2,1H3
InChIKeyUCGRDYMJHUUIBM-UHFFFAOYSA-N
XLogP1.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
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(1-ethylazepan-2-yl)methanol
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1-ethylpiperazin-2-amine;hydrazine
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1,2-diethylpiperidine
CID 19604037
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-(1-deuterioethyl)piperidine
CID 101040239
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
ethane;1-ethyl-2-methylazepane
CID 145020951

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine?
The IUPAC name of 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine (CID 90206304) is 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine.
What is the SMILES notation for 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine?
The canonical SMILES for 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine is CCN1CCCCCCCCCNC2C(N)C21.
What is the InChIKey of 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine?
The InChIKey is UCGRDYMJHUUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-17-11-9-7-5-3-4-6-8-10-16-13-12(15)14(13)17/h12-14,16H,2-11,15H2,1H3.
What are the key properties of 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine?
2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine has a molecular weight of 239.41 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,12-diazabicyclo[11.1.0]tetradecan-14-amine is sourced from PubChem (CID 90206304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).