3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide

C14H29N3O — CID 77027208

IUPAC3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(CC)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-12(10-14(15)17-18)16-13(4-2)11-8-6-5-7-9-11/h11-13,16,18H,3-10H2,1-2H3,(H2,15,17)
InChIKeyNMFCRSLEPDKSSI-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.85
Rot. Bonds7

About 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide

3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide (PubChem CID 77027208) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide
PubChem CID77027208
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(CC)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-12(10-14(15)17-18)16-13(4-2)11-8-6-5-7-9-11/h11-13,16,18H,3-10H2,1-2H3,(H2,15,17)
InChIKeyNMFCRSLEPDKSSI-UHFFFAOYSA-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': '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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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide (CID 77027208) is 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(CC)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide?
The InChIKey is NMFCRSLEPDKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-12(10-14(15)17-18)16-13(4-2)11-8-6-5-7-9-11/h11-13,16,18H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide?
3-(1-cyclohexylpropylamino)-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 3-(1-cyclohexylpropylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77027208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).