6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane

C16H28N2O — CID 141013764

IUPAC6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane
SMILESCCCC1NC2CC3C4CNCC(C4)CC3CC2O1
InChIInChI=1S/C16H28N2O/c1-2-3-16-18-14-7-13-11(6-15(14)19-16)4-10-5-12(13)9-17-8-10/h10-18H,2-9H2,1H3
InChIKeyYPBGRDHKZFVIQD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.13
Rot. Bonds2

About 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane

6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane (PubChem CID 141013764) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane.

Molecular Properties

Compound Name6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane
PubChem CID141013764
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane
SMILESCCCC1NC2CC3C4CNCC(C4)CC3CC2O1
InChIInChI=1S/C16H28N2O/c1-2-3-16-18-14-7-13-11(6-15(14)19-16)4-10-5-12(13)9-17-8-10/h10-18H,2-9H2,1H3
InChIKeyYPBGRDHKZFVIQD-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-6-methyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
CID 141013723
7-ethyl-5,7,14-triazatetracyclo[10.3.1.02,10.04,8]hexadecane
CID 141013742
ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane
CID 142053051
(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
CID 90066357
4-[2-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-yl)ethyl]cyclohexan-1-amine
CID 142884980
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
4-methyl-3-propyl-1b,2,3,4,5,5a,6,6a-octahydro-1aH-indeno[1,2-b]oxirene
CID 89223204
(1R,2S,5S)-2-methyl-3-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 97178647
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
(5S)-3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
CID 163809174
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 46842798

Frequently Asked Questions

What is the IUPAC name of 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The IUPAC name of 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane (CID 141013764) is 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane.
What is the SMILES notation for 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The canonical SMILES for 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane is CCCC1NC2CC3C4CNCC(C4)CC3CC2O1.
What is the InChIKey of 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane?
The InChIKey is YPBGRDHKZFVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-3-16-18-14-7-13-11(6-15(14)19-16)4-10-5-12(13)9-17-8-10/h10-18H,2-9H2,1H3.
What are the key properties of 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane?
6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane has a molecular weight of 264.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane is sourced from PubChem (CID 141013764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).