1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide

C13H25N3O2 — CID 79651714

IUPAC1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide
SMILESCN(CC1CCCOC1)C1CCC(N)(C(N)=O)C1
InChIInChI=1S/C13H25N3O2/c1-16(8-10-3-2-6-18-9-10)11-4-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17)
InChIKeySAUHDTNLVJTNIZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.08
Rot. Bonds4

About 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide

1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide (PubChem CID 79651714) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide
PubChem CID79651714
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide
SMILESCN(CC1CCCOC1)C1CCC(N)(C(N)=O)C1
InChIInChI=1S/C13H25N3O2/c1-16(8-10-3-2-6-18-9-10)11-4-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17)
InChIKeySAUHDTNLVJTNIZ-UHFFFAOYSA-N
XLogP0.08
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79644944
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627220
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide (CID 79651714) is 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide is CN(CC1CCCOC1)C1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide?
The InChIKey is SAUHDTNLVJTNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16(8-10-3-2-6-18-9-10)11-4-5-13(15,7-11)12(14)17/h10-11H,2-9,15H2,1H3,(H2,14,17).
What are the key properties of 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide?
1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 79651714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).