N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

C11H22N2O — CID 43136679

IUPACN-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13(6-4-5-12)11(14)10-7-9(10)3/h8-10H,4-7,12H2,1-3H3
InChIKeyLHUPBIOVZDLBPH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 43136679) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID43136679
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)13(6-4-5-12)11(14)10-7-9(10)3/h8-10H,4-7,12H2,1-3H3
InChIKeyLHUPBIOVZDLBPH-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 43136679) is N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is CC1CC1C(=O)N(CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is LHUPBIOVZDLBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13(6-4-5-12)11(14)10-7-9(10)3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 43136679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).