(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine

C9H21N3 — CID 155306647

IUPAC(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine
SMILESCCCN1C(C)N(NC)C[C@@H]1C
InChIInChI=1S/C9H21N3/c1-5-6-11-8(2)7-12(10-4)9(11)3/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyUJNWQBSZPNCRHM-IENPIDJESA-N
MW171.29 g/mol
LogP0.88
Rot. Bonds3

About (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine

(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine (PubChem CID 155306647) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine.

Molecular Properties

Compound Name(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine
PubChem CID155306647
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine
SMILESCCCN1C(C)N(NC)C[C@@H]1C
InChIInChI=1S/C9H21N3/c1-5-6-11-8(2)7-12(10-4)9(11)3/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyUJNWQBSZPNCRHM-IENPIDJESA-N
XLogP0.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine?
The IUPAC name of (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine (CID 155306647) is (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine.
What is the SMILES notation for (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine?
The canonical SMILES for (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine is CCCN1C(C)N(NC)C[C@@H]1C.
What is the InChIKey of (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine?
The InChIKey is UJNWQBSZPNCRHM-IENPIDJESA-N. The full InChI is InChI=1S/C9H21N3/c1-5-6-11-8(2)7-12(10-4)9(11)3/h8-10H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine?
(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine has a molecular weight of 171.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine is sourced from PubChem (CID 155306647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).