tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate

C19H37N3O3 — CID 124868723

IUPACtert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
SMILESC[C@H](CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C19H37N3O3/c1-15(22-10-12-24-13-11-22)14-20-16-8-6-5-7-9-17(16)21-18(23)25-19(2,3)4/h15-17,20H,5-14H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1
InChIKeyRILYPQQOZRLSNA-IXDOHACOSA-N
MW355.52 g/mol
LogP2.52
Rot. Bonds5

About tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate

tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate (PubChem CID 124868723) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
PubChem CID124868723
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nametert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
SMILESC[C@H](CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C19H37N3O3/c1-15(22-10-12-24-13-11-22)14-20-16-8-6-5-7-9-17(16)21-18(23)25-19(2,3)4/h15-17,20H,5-14H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1
InChIKeyRILYPQQOZRLSNA-IXDOHACOSA-N
XLogP2.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
CID 103816674
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptyl]amino]propanoic acid
CID 107244084
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate (CID 124868723) is tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate is C[C@H](CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate?
The InChIKey is RILYPQQOZRLSNA-IXDOHACOSA-N. The full InChI is InChI=1S/C19H37N3O3/c1-15(22-10-12-24-13-11-22)14-20-16-8-6-5-7-9-17(16)21-18(23)25-19(2,3)4/h15-17,20H,5-14H2,1-4H3,(H,21,23)/t15-,16+,17-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate?
tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate has a molecular weight of 355.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate is sourced from PubChem (CID 124868723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).