3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine

C21H46N4O2 — CID 14661126

IUPAC3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(CC)CCOCCOCCN(CC)CC1
InChIInChI=1S/C21H46N4O2/c1-5-22(6-2)10-9-11-25-14-12-23(7-3)16-18-26-20-21-27-19-17-24(8-4)13-15-25/h5-21H2,1-4H3
InChIKeyYFFFHPVPGZZUGR-UHFFFAOYSA-N
MW386.63 g/mol
LogP1.71
Rot. Bonds8

About 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine

3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine (PubChem CID 14661126) has the molecular formula C21H46N4O2 and a molecular weight of 386.63 g/mol. Its IUPAC name is 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine
PubChem CID14661126
Molecular FormulaC21H46N4O2
Molecular Weight386.63 g/mol
Exact Mass386.36
IUPAC Name3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(CC)CCOCCOCCN(CC)CC1
InChIInChI=1S/C21H46N4O2/c1-5-22(6-2)10-9-11-25-14-12-23(7-3)16-18-26-20-21-27-19-17-24(8-4)13-15-25/h5-21H2,1-4H3
InChIKeyYFFFHPVPGZZUGR-UHFFFAOYSA-N
XLogP1.71
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine with MolForge

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Related Compounds

1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
CID 111496505
N,N-diethyl-3-methyl-6-morpholin-4-ylhexan-1-amine
CID 142218113
4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
3-[2-hydroxyethyl(3-morpholin-4-ylpropyl)amino]propan-1-ol
CID 23551083
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
butane;4-butylmorpholine
CID 177152600
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 46996949
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992

Frequently Asked Questions

What is the IUPAC name of 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine (CID 14661126) is 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCN(CC)CCOCCOCCN(CC)CC1.
What is the InChIKey of 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine?
The InChIKey is YFFFHPVPGZZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N4O2/c1-5-22(6-2)10-9-11-25-14-12-23(7-3)16-18-26-20-21-27-19-17-24(8-4)13-15-25/h5-21H2,1-4H3.
What are the key properties of 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine?
3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine has a molecular weight of 386.63 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 14661126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).