1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

C14H27ClN2O2 — CID 119795864

IUPAC1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)C1OCCCC1CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)11-10(5-4-8-18-11)9-16-12(17)14(15)6-7-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyWIBWIYJKXFLOIU-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.86
Rot. Bonds3

About 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119795864) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119795864
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)C1OCCCC1CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)11-10(5-4-8-18-11)9-16-12(17)14(15)6-7-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyWIBWIYJKXFLOIU-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
CID 119795866
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
CID 120592868
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-[(2-tert-butyloxan-3-yl)methyl]-2,3-dimethylguanidine
CID 111428538
(2-tert-butyloxan-3-yl)methanol
CID 79373679
(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124857687
(3R)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]piperidine-3-carboxamide
CID 124595857

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119795864) is 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is CC(C)(C)C1OCCCC1CNC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WIBWIYJKXFLOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-13(2,3)11-10(5-4-8-18-11)9-16-12(17)14(15)6-7-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119795864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).