(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C19H35N3O2 — CID 56905644

IUPAC(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCN(CC1CCOCC1)CC1[C@H]2CN(C(=O)N(CC)CC)C[C@@H]12
InChIInChI=1S/C19H35N3O2/c1-4-20(11-15-7-9-24-10-8-15)12-16-17-13-22(14-18(16)17)19(23)21(5-2)6-3/h15-18H,4-14H2,1-3H3/t16?,17-,18+
InChIKeyHDOUJUZZRSPADE-AYHJJNSGSA-N
MW337.51 g/mol
LogP2.37
Rot. Bonds7

About (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 56905644) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID56905644
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCN(CC1CCOCC1)CC1[C@H]2CN(C(=O)N(CC)CC)C[C@@H]12
InChIInChI=1S/C19H35N3O2/c1-4-20(11-15-7-9-24-10-8-15)12-16-17-13-22(14-18(16)17)19(23)21(5-2)6-3/h15-18H,4-14H2,1-3H3/t16?,17-,18+
InChIKeyHDOUJUZZRSPADE-AYHJJNSGSA-N
XLogP2.37
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
CID 79160798
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
CID 7393137
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617844
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720413
(1S,5S)-N-(cyclopropylmethyl)-N-methyl-3-(oxane-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 171675875
N-ethyl-2-(4-hydroxyoxan-4-yl)-N-(oxan-4-ylmethyl)acetamide
CID 175786431
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
CID 63706904
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
N-(cyclobutylmethyl)-N-ethylazepane-1-carboxamide
CID 107397929

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 56905644) is (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is CCN(CC1CCOCC1)CC1[C@H]2CN(C(=O)N(CC)CC)C[C@@H]12.
What is the InChIKey of (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HDOUJUZZRSPADE-AYHJJNSGSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-4-20(11-15-7-9-24-10-8-15)12-16-17-13-22(14-18(16)17)19(23)21(5-2)6-3/h15-18H,4-14H2,1-3H3/t16?,17-,18+.
What are the key properties of (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-diethyl-6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 56905644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).