N-[(2-methylcyclopropyl)methyl]propan-2-amine

C8H17N — CID 43163794

IUPACN-[(2-methylcyclopropyl)methyl]propan-2-amine
SMILESCC(C)NCC1CC1C
InChIInChI=1S/C8H17N/c1-6(2)9-5-8-4-7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyQCNKZEAKKHWLLY-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds3

About N-[(2-methylcyclopropyl)methyl]propan-2-amine

N-[(2-methylcyclopropyl)methyl]propan-2-amine (PubChem CID 43163794) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]propan-2-amine
PubChem CID43163794
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-[(2-methylcyclopropyl)methyl]propan-2-amine
SMILESCC(C)NCC1CC1C
InChIInChI=1S/C8H17N/c1-6(2)9-5-8-4-7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyQCNKZEAKKHWLLY-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]propan-2-amine (CID 43163794) is N-[(2-methylcyclopropyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]propan-2-amine is CC(C)NCC1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]propan-2-amine?
The InChIKey is QCNKZEAKKHWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)9-5-8-4-7(8)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]propan-2-amine?
N-[(2-methylcyclopropyl)methyl]propan-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]propan-2-amine is sourced from PubChem (CID 43163794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).