N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine

C22H37N — CID 126694320

IUPACN-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine
SMILESCCCC1CC(CCN(C)CC2CC2)(C2=C(CC)CC(C)=C2)C1
InChIInChI=1S/C22H37N/c1-5-7-19-14-22(15-19,10-11-23(4)16-18-8-9-18)21-13-17(3)12-20(21)6-2/h13,18-19H,5-12,14-16H2,1-4H3
InChIKeyMOCWUFYPNQIDIM-UHFFFAOYSA-N
MW315.55 g/mol
LogP5.97
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine

N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine (PubChem CID 126694320) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine
PubChem CID126694320
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine
SMILESCCCC1CC(CCN(C)CC2CC2)(C2=C(CC)CC(C)=C2)C1
InChIInChI=1S/C22H37N/c1-5-7-19-14-22(15-19,10-11-23(4)16-18-8-9-18)21-13-17(3)12-20(21)6-2/h13,18-19H,5-12,14-16H2,1-4H3
InChIKeyMOCWUFYPNQIDIM-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine (CID 126694320) is N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine is CCCC1CC(CCN(C)CC2CC2)(C2=C(CC)CC(C)=C2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine?
The InChIKey is MOCWUFYPNQIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-5-7-19-14-22(15-19,10-11-23(4)16-18-8-9-18)21-13-17(3)12-20(21)6-2/h13,18-19H,5-12,14-16H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine?
N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine has a molecular weight of 315.55 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(2-ethyl-4-methylcyclopenta-1,4-dien-1-yl)-3-propylcyclobutyl]-N-methylethanamine is sourced from PubChem (CID 126694320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).