(2,2-diethylcyclopropyl)methanamine

C8H17N — CID 44827664

IUPAC(2,2-diethylcyclopropyl)methanamine
SMILESCCC1(CC)CC1CN
InChIInChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyZNEANLRFEOLEAL-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds3

About (2,2-diethylcyclopropyl)methanamine

(2,2-diethylcyclopropyl)methanamine (PubChem CID 44827664) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2,2-diethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,2-diethylcyclopropyl)methanamine
PubChem CID44827664
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2,2-diethylcyclopropyl)methanamine
SMILESCCC1(CC)CC1CN
InChIInChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKeyZNEANLRFEOLEAL-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-diethylcyclopropyl)methanamine?
The IUPAC name of (2,2-diethylcyclopropyl)methanamine (CID 44827664) is (2,2-diethylcyclopropyl)methanamine.
What is the SMILES notation for (2,2-diethylcyclopropyl)methanamine?
The canonical SMILES for (2,2-diethylcyclopropyl)methanamine is CCC1(CC)CC1CN.
What is the InChIKey of (2,2-diethylcyclopropyl)methanamine?
The InChIKey is ZNEANLRFEOLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3.
What are the key properties of (2,2-diethylcyclopropyl)methanamine?
(2,2-diethylcyclopropyl)methanamine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethylcyclopropyl)methanamine is sourced from PubChem (CID 44827664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).