tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate

C17H30N2O3 — CID 107094858

IUPACtert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNCC1CCC=CO1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19(14-8-9-14)11-6-10-18-13-15-7-4-5-12-21-15/h5,12,14-15,18H,4,6-11,13H2,1-3H3
InChIKeyHBSUOZVCSGSWHU-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.06
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate (PubChem CID 107094858) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
PubChem CID107094858
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNCC1CCC=CO1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19(14-8-9-14)11-6-10-18-13-15-7-4-5-12-21-15/h5,12,14-15,18H,4,6-11,13H2,1-3H3
InChIKeyHBSUOZVCSGSWHU-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
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-[(2R,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 45103018
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-difluoropropyl]carbamate
CID 107095531
Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
tert-butyl N-[(2S,3R)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171696
tert-butyl N-[(2S,3S)-2-methyl-3,4-dihydro-2H-pyran-3-yl]carbamate
CID 102171699
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]carbamate
CID 102613513
tert-butyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 102613518
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate (CID 107094858) is tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate is CC(C)(C)OC(=O)N(CCCNCC1CCC=CO1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
The InChIKey is HBSUOZVCSGSWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19(14-8-9-14)11-6-10-18-13-15-7-4-5-12-21-15/h5,12,14-15,18H,4,6-11,13H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 107094858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).