tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate

C17H35N3O3 — CID 143744838

IUPACtert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C1COCCN1CCCN
InChIInChI=1S/C17H35N3O3/c1-5-6-8-14(19-16(21)23-17(2,3)4)15-13-22-12-11-20(15)10-7-9-18/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyIHYGOWNVEJEUMY-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.12
Rot. Bonds8

About tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate

tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate (PubChem CID 143744838) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate
PubChem CID143744838
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Nametert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C1COCCN1CCCN
InChIInChI=1S/C17H35N3O3/c1-5-6-8-14(19-16(21)23-17(2,3)4)15-13-22-12-11-20(15)10-7-9-18/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyIHYGOWNVEJEUMY-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate (CID 143744838) is tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate is CCCCC(NC(=O)OC(C)(C)C)C1COCCN1CCCN.
What is the InChIKey of tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate?
The InChIKey is IHYGOWNVEJEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-5-6-8-14(19-16(21)23-17(2,3)4)15-13-22-12-11-20(15)10-7-9-18/h14-15H,5-13,18H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate?
tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate has a molecular weight of 329.49 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(3-aminopropyl)morpholin-3-yl]pentyl]carbamate is sourced from PubChem (CID 143744838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).