N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide

C10H19NO — CID 146435920

IUPACN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide
SMILESCC(C)[C@@H](C)N(C=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-8(2)9(3)11(7-12)6-10-4-5-10/h7-10H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyLJQYYUKVRPCCIQ-SECBINFHSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide

N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide (PubChem CID 146435920) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide
PubChem CID146435920
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide
SMILESCC(C)[C@@H](C)N(C=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-8(2)9(3)11(7-12)6-10-4-5-10/h7-10H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyLJQYYUKVRPCCIQ-SECBINFHSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide (CID 146435920) is N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide is CC(C)[C@@H](C)N(C=O)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide?
The InChIKey is LJQYYUKVRPCCIQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(3)11(7-12)6-10-4-5-10/h7-10H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide?
N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide has a molecular weight of 169.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide is sourced from PubChem (CID 146435920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).