tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate

C17H32N2O3 — CID 103948224

IUPACtert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCOCC1CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-14-5-4-6-15(14)18-9-10-21-12-13-7-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeySZNXUHSOCBHWNT-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.70
Rot. Bonds8

About tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103948224) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103948224
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCOCC1CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-14-5-4-6-15(14)18-9-10-21-12-13-7-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeySZNXUHSOCBHWNT-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate
CID 123168654
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate
CID 134267021
tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate
CID 156531397
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate
CID 167319423
tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate
CID 174022989
tert-butyl N-[[2-(1-ethoxypropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65832522
tert-butyl N-[[2-[(2-methylcyclopropyl)amino]cyclopentyl]methyl]carbamate
CID 65832524
tert-butyl N-[[2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclopentyl]methyl]carbamate
CID 65832527
tert-butyl N-[[2-(2,3-dimethylbutylamino)cyclopentyl]methyl]carbamate
CID 65832737

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate (CID 103948224) is tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCCOCC1CC1.
What is the InChIKey of tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is SZNXUHSOCBHWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-14-5-4-6-15(14)18-9-10-21-12-13-7-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(cyclopropylmethoxy)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103948224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).