5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide

C14H29N3O — CID 81392075

IUPAC5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
SMILESC[C@@H](NCCCCC(N)=NO)C1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(13-8-4-2-3-5-9-13)16-11-7-6-10-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17)/t12-/m1/s1
InChIKeyGZGOUUYDEYXAHK-GFCCVEGCSA-N
MW255.41 g/mol
LogP2.85
Rot. Bonds7

About 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide

5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide (PubChem CID 81392075) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
PubChem CID81392075
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
SMILESC[C@@H](NCCCCC(N)=NO)C1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-12(13-8-4-2-3-5-9-13)16-11-7-6-10-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17)/t12-/m1/s1
InChIKeyGZGOUUYDEYXAHK-GFCCVEGCSA-N
XLogP2.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
5-(dicyclopropylmethylamino)-N'-hydroxypentanimidamide
CID 77032523
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide (CID 81392075) is 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide is C[C@@H](NCCCCC(N)=NO)C1CCCCCC1.
What is the InChIKey of 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide?
The InChIKey is GZGOUUYDEYXAHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(13-8-4-2-3-5-9-13)16-11-7-6-10-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17)/t12-/m1/s1.
What are the key properties of 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide?
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 81392075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).