1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine

C16H26N2O — CID 115117506

IUPAC1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
SMILESCC(C)Oc1ccc(CN(C)C2CCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)19-14-9-7-13(8-10-14)11-18(3)16-6-4-5-15(16)17/h7-10,12,15-16H,4-6,11,17H2,1-3H3
InChIKeyBJFPAQRVDFRGBM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine

1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine (PubChem CID 115117506) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
PubChem CID115117506
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
SMILESCC(C)Oc1ccc(CN(C)C2CCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)19-14-9-7-13(8-10-14)11-18(3)16-6-4-5-15(16)17/h7-10,12,15-16H,4-6,11,17H2,1-3H3
InChIKeyBJFPAQRVDFRGBM-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 116926239
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117527

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine (CID 115117506) is 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine is CC(C)Oc1ccc(CN(C)C2CCCC2N)cc1.
What is the InChIKey of 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine?
The InChIKey is BJFPAQRVDFRGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-14-9-7-13(8-10-14)11-18(3)16-6-4-5-15(16)17/h7-10,12,15-16H,4-6,11,17H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine?
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).