N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide

C18H35N3O — CID 91127407

IUPACN-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide
SMILESC=CC(C)NCCCC(CN)NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H35N3O/c1-3-15(2)20-13-7-10-17(14-19)21-18(22)12-11-16-8-5-4-6-9-16/h3,15-17,20H,1,4-14,19H2,2H3,(H,21,22)
InChIKeyRDZBJHZJIOLDER-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.73
Rot. Bonds11

About N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide

N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide (PubChem CID 91127407) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide
PubChem CID91127407
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide
SMILESC=CC(C)NCCCC(CN)NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H35N3O/c1-3-15(2)20-13-7-10-17(14-19)21-18(22)12-11-16-8-5-4-6-9-16/h3,15-17,20H,1,4-14,19H2,2H3,(H,21,22)
InChIKeyRDZBJHZJIOLDER-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide (CID 91127407) is N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide is C=CC(C)NCCCC(CN)NC(=O)CCC1CCCCC1.
What is the InChIKey of N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide?
The InChIKey is RDZBJHZJIOLDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-3-15(2)20-13-7-10-17(14-19)21-18(22)12-11-16-8-5-4-6-9-16/h3,15-17,20H,1,4-14,19H2,2H3,(H,21,22).
What are the key properties of N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide?
N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide has a molecular weight of 309.50 g/mol, XLogP of 2.73, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-5-(but-3-en-2-ylamino)pentan-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 91127407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).