1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide

C12H24N4O — CID 123165868

IUPAC1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
SMILESC/N=C(\NCCO)C(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H24N4O/c1-9(12(14-2)15-7-8-17)11(13)16-10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyAPRGFFJBFLGCOB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.53
Rot. Bonds5

About 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide

1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide (PubChem CID 123165868) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide.

Molecular Properties

Compound Name1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
PubChem CID123165868
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
SMILESC/N=C(\NCCO)C(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H24N4O/c1-9(12(14-2)15-7-8-17)11(13)16-10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyAPRGFFJBFLGCOB-UHFFFAOYSA-N
XLogP0.53
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N'-methylpentanimidamide
CID 90250612
3-N-(3-hydroxycyclopentyl)-1-N'-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
CID 123326464
3-[Cyclopentyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
CID 61581635
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
CID 79503826
3-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79503920
3-Methyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79503921
(2S)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
CID 79504008
(2S)-3-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-1-ol
CID 79504009
(2S)-3-methyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79504099
2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol
CID 79507583
2-(2,3,4,5-Tetrahydropyridin-6-ylamino)butan-1-ol
CID 79507693
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propan-1-ol
CID 79508228

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The IUPAC name of 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide (CID 123165868) is 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide.
What is the SMILES notation for 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The canonical SMILES for 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide is C/N=C(\NCCO)C(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
The InChIKey is APRGFFJBFLGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(12(14-2)15-7-8-17)11(13)16-10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide?
1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide is sourced from PubChem (CID 123165868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).