4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide

C15H28N2O2 — CID 120937401

IUPAC4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)9-14(3-4-14)11-17-13(18)15(10-16)5-7-19-8-6-15/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeySWMIMMZFSVXBCS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds6

About 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide (PubChem CID 120937401) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
PubChem CID120937401
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)9-14(3-4-14)11-17-13(18)15(10-16)5-7-19-8-6-15/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeySWMIMMZFSVXBCS-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119821357
4-(aminomethyl)-N-(3-methylsulfanylbutyl)oxane-4-carboxamide
CID 113493999
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936241
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106297480
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxane-4-carboxamide
CID 113310160
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide (CID 120937401) is 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide is CC(C)CC1(CNC(=O)C2(CN)CCOCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide?
The InChIKey is SWMIMMZFSVXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)9-14(3-4-14)11-17-13(18)15(10-16)5-7-19-8-6-15/h12H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 120937401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).