N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide

C16H29NO — CID 20790220

IUPACN-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide
SMILESC=CCCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,17,18)
InChIKeyGZAHTTVPBJPWID-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.06
Rot. Bonds6

About N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide

N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide (PubChem CID 20790220) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide
PubChem CID20790220
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide
SMILESC=CCCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,17,18)
InChIKeyGZAHTTVPBJPWID-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide (CID 20790220) is N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide is C=CCCC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide?
The InChIKey is GZAHTTVPBJPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide?
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide has a molecular weight of 251.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide is sourced from PubChem (CID 20790220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).