2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H31N3 — CID 103189548

IUPAC2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(CN)CCCC1)C(C)CN(C)C
InChIInChI=1S/C14H31N3/c1-5-17(13(2)10-16(3)4)12-14(11-15)8-6-7-9-14/h13H,5-12,15H2,1-4H3
InChIKeyVRLJBNVHUPJRSE-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds7

About 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189548) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189548
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1(CN)CCCC1)C(C)CN(C)C
InChIInChI=1S/C14H31N3/c1-5-17(13(2)10-16(3)4)12-14(11-15)8-6-7-9-14/h13H,5-12,15H2,1-4H3
InChIKeyVRLJBNVHUPJRSE-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
2-N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191382
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,2-dimethylpropan-1-amine
CID 115448846
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189548) is 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1(CN)CCCC1)C(C)CN(C)C.
What is the InChIKey of 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is VRLJBNVHUPJRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-17(13(2)10-16(3)4)12-14(11-15)8-6-7-9-14/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(aminomethyl)cyclopentyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).