tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate

C16H34N2O3 — CID 156531397

IUPACtert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate
SMILESCOCCN(C)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)14(17-15(19)21-16(3,4)5)9-8-10-18(6)11-12-20-7/h13-14H,8-12H2,1-7H3,(H,17,19)/t14-/m1/s1
InChIKeyRRMARWVNYIFIPO-CQSZACIVSA-N
MW302.46 g/mol
LogP2.89
Rot. Bonds9

About tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate

tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate (PubChem CID 156531397) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate
PubChem CID156531397
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate
SMILESCOCCN(C)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)14(17-15(19)21-16(3,4)5)9-8-10-18(6)11-12-20-7/h13-14H,8-12H2,1-7H3,(H,17,19)/t14-/m1/s1
InChIKeyRRMARWVNYIFIPO-CQSZACIVSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{(S)-1-[(S)-4-Isopropyl-2-oxooxazolidin-3-ylmethyl]pentyl}carbamic Acid tert-Butyl Ester
CID 139253359
N-tert-Butoxycarbonyl-1-morpholino-2-(S)-amino-4-methylpentane
CID 10989798
tert-butyl N-[2-hydroxy-5-methyl-1-(2-methylpropylamino)hexan-3-yl]carbamate
CID 14180892
tert-butyl N-[(3S)-2-hydroxy-5-methyl-1-(2-methylpropylamino)hexan-3-yl]carbamate
CID 14180894
tert-butyl N,N-bis[2-(butylcarbamoyloxy)ethyl]carbamate
CID 15734699
tert-butyl N-[5-[bis[2-(butylcarbamoyloxy)ethyl]amino]pentyl]carbamate
CID 15734703
tert-butyl (1R,3S)-3-(morpholinomethyl)cyclopentylcarbamate
CID 18453496
2-tert-Butoxycarbonylamino-3-octadecylcarbamoyloxypropane
CID 19884226
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
CID 22253998
tert-butyl N-[4-(2-methoxyethylamino)cyclohexyl]-N-methylcarbamate
CID 53716237
tert-butyl N-[5-[bis(1-carbamoyloxyhexan-2-yl)amino]pentyl]carbamate
CID 54445356
BOC-leucinol methyl ether
CID 56637742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate (CID 156531397) is tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate is COCCN(C)CCC[C@@H](NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate?
The InChIKey is RRMARWVNYIFIPO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-13(2)14(17-15(19)21-16(3,4)5)9-8-10-18(6)11-12-20-7/h13-14H,8-12H2,1-7H3,(H,17,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate?
tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate is sourced from PubChem (CID 156531397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).