N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine

C10H19N — CID 123940114

IUPACN-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine
SMILESCCC(C)N(C)C1=CC1(C)C
InChIInChI=1S/C10H19N/c1-6-8(2)11(5)9-7-10(9,3)4/h7-8H,6H2,1-5H3
InChIKeyUQJXKSNBVVRUCV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds3

About N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine

N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine (PubChem CID 123940114) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine
PubChem CID123940114
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine
SMILESCCC(C)N(C)C1=CC1(C)C
InChIInChI=1S/C10H19N/c1-6-8(2)11(5)9-7-10(9,3)4/h7-8H,6H2,1-5H3
InChIKeyUQJXKSNBVVRUCV-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine?
The IUPAC name of N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine (CID 123940114) is N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine.
What is the SMILES notation for N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine?
The canonical SMILES for N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine is CCC(C)N(C)C1=CC1(C)C.
What is the InChIKey of N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine?
The InChIKey is UQJXKSNBVVRUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(2)11(5)9-7-10(9,3)4/h7-8H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine?
N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine is sourced from PubChem (CID 123940114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).