(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone

C14H20N2O3 — CID 20530757

IUPAC(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2(N)CCCC2N)c1
InChIInChI=1S/C14H20N2O3/c1-18-10-6-9(7-11(8-10)19-2)13(17)14(16)5-3-4-12(14)15/h6-8,12H,3-5,15-16H2,1-2H3
InChIKeyZZDZSONZVIDOFB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds4

About (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone

(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 20530757) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID20530757
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2(N)CCCC2N)c1
InChIInChI=1S/C14H20N2O3/c1-18-10-6-9(7-11(8-10)19-2)13(17)14(16)5-3-4-12(14)15/h6-8,12H,3-5,15-16H2,1-2H3
InChIKeyZZDZSONZVIDOFB-UHFFFAOYSA-N
XLogP1.10
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
1,3,5-trimethoxybenzene;urea
CID 174919725

Frequently Asked Questions

What is the IUPAC name of (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone (CID 20530757) is (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2(N)CCCC2N)c1.
What is the InChIKey of (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is ZZDZSONZVIDOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-10-6-9(7-11(8-10)19-2)13(17)14(16)5-3-4-12(14)15/h6-8,12H,3-5,15-16H2,1-2H3.
What are the key properties of (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone?
(1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diaminocyclopentyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 20530757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).