7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane

C16H29N3 — CID 141013723

IUPAC7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
SMILESCCN1C(C)NC2CC3C4CNCC(C4)CC3CC21
InChIInChI=1S/C16H29N3/c1-3-19-10(2)18-15-7-14-12(6-16(15)19)4-11-5-13(14)9-17-8-11/h10-18H,3-9H2,1-2H3
InChIKeyKLEYOJPFIGCCLQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.65
Rot. Bonds1

About 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane

7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane (PubChem CID 141013723) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane.

Molecular Properties

Compound Name7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
PubChem CID141013723
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
SMILESCCN1C(C)NC2CC3C4CNCC(C4)CC3CC21
InChIInChI=1S/C16H29N3/c1-3-19-10(2)18-15-7-14-12(6-16(15)19)4-11-5-13(14)9-17-8-11/h10-18H,3-9H2,1-2H3
InChIKeyKLEYOJPFIGCCLQ-UHFFFAOYSA-N
XLogP1.65
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
CID 141013742
6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane
CID 141013764
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 97178647
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
(1R,2R,5R)-2,3-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 99961668
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
1-ethylsulfinyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 131182157
(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
CID 90066357
(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol
CID 130760663
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The IUPAC name of 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane (CID 141013723) is 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane.
What is the SMILES notation for 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The canonical SMILES for 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane is CCN1C(C)NC2CC3C4CNCC(C4)CC3CC21.
What is the InChIKey of 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The InChIKey is KLEYOJPFIGCCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-19-10(2)18-15-7-14-12(6-16(15)19)4-11-5-13(14)9-17-8-11/h10-18H,3-9H2,1-2H3.
What are the key properties of 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane?
7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane has a molecular weight of 263.43 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane is sourced from PubChem (CID 141013723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).