1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine

C19H38N2 — CID 138708482

IUPAC1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine
SMILESCC(C)N1CN(C(C)(C)C)CC1C1CCCCCCCC1
InChIInChI=1S/C19H38N2/c1-16(2)21-15-20(19(3,4)5)14-18(21)17-12-10-8-6-7-9-11-13-17/h16-18H,6-15H2,1-5H3
InChIKeyNTRHIBBXWZQJNT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.89
Rot. Bonds2

About 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine

1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine (PubChem CID 138708482) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine.

Molecular Properties

Compound Name1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine
PubChem CID138708482
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine
SMILESCC(C)N1CN(C(C)(C)C)CC1C1CCCCCCCC1
InChIInChI=1S/C19H38N2/c1-16(2)21-15-20(19(3,4)5)14-18(21)17-12-10-8-6-7-9-11-13-17/h16-18H,6-15H2,1-5H3
InChIKeyNTRHIBBXWZQJNT-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine?
The IUPAC name of 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine (CID 138708482) is 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine.
What is the SMILES notation for 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine?
The canonical SMILES for 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine is CC(C)N1CN(C(C)(C)C)CC1C1CCCCCCCC1.
What is the InChIKey of 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine?
The InChIKey is NTRHIBBXWZQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-16(2)21-15-20(19(3,4)5)14-18(21)17-12-10-8-6-7-9-11-13-17/h16-18H,6-15H2,1-5H3.
What are the key properties of 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine?
1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine has a molecular weight of 294.53 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine is sourced from PubChem (CID 138708482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).