N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide

C14H27NO — CID 20790184

IUPACN-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCCC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyHKVUKLDWIVHBEU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.36
Rot. Bonds5

About N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide

N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide (PubChem CID 20790184) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
PubChem CID20790184
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCCC(CC1CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyHKVUKLDWIVHBEU-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide?
The IUPAC name of N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide (CID 20790184) is N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide is CCCC(CC1CC1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide?
The InChIKey is HKVUKLDWIVHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-7-11(9-12-8-10(12)2)13(16)15-14(3,4)5/h10-12H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide?
N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide has a molecular weight of 225.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 20790184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).