tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate

C15H28N2O3 — CID 115052180

IUPACtert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(N)C2CCCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-10-15(6-7-15)12(16)11-5-4-8-19-9-11/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyKHYFZRCWSWCACL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate (PubChem CID 115052180) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate
PubChem CID115052180
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C(N)C2CCCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-10-15(6-7-15)12(16)11-5-4-8-19-9-11/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyKHYFZRCWSWCACL-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate (CID 115052180) is tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(C(N)C2CCCOC2)CC1.
What is the InChIKey of tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate?
The InChIKey is KHYFZRCWSWCACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-10-15(6-7-15)12(16)11-5-4-8-19-9-11/h11-12H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[amino(oxan-3-yl)methyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 115052180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).