3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine

C14H27N3 — CID 81023557

IUPAC3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(C)(C)CCNC(C)C
InChIInChI=1S/C14H27N3/c1-6-10-17-11-9-16-13(17)14(4,5)7-8-15-12(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyDPTCFBZHRWUDSO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds7

About 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine

3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine (PubChem CID 81023557) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
PubChem CID81023557
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
SMILESCCCn1ccnc1C(C)(C)CCNC(C)C
InChIInChI=1S/C14H27N3/c1-6-10-17-11-9-16-13(17)14(4,5)7-8-15-12(2)3/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyDPTCFBZHRWUDSO-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine (CID 81023557) is 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine is CCCn1ccnc1C(C)(C)CCNC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine?
The InChIKey is DPTCFBZHRWUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-10-17-11-9-16-13(17)14(4,5)7-8-15-12(2)3/h9,11-12,15H,6-8,10H2,1-5H3.
What are the key properties of 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine?
3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 81023557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).