N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine

C15H27N3 — CID 79329480

IUPACN-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cncc1C=C(CC)CNC(C)(C)C
InChIInChI=1S/C15H27N3/c1-6-8-18-12-16-11-14(18)9-13(7-2)10-17-15(3,4)5/h9,11-12,17H,6-8,10H2,1-5H3
InChIKeyPRQYWLHQZCTZDH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.47
Rot. Bonds6

About N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine

N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine (PubChem CID 79329480) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
PubChem CID79329480
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cncc1C=C(CC)CNC(C)(C)C
InChIInChI=1S/C15H27N3/c1-6-8-18-12-16-11-14(18)9-13(7-2)10-17-15(3,4)5/h9,11-12,17H,6-8,10H2,1-5H3
InChIKeyPRQYWLHQZCTZDH-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(3-methylimidazol-4-yl)methylidene]butan-1-amine
CID 79330382
2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine
CID 79322815
N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 79340131
N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
CID 79328789
2-cyano-3-(3-propylimidazol-4-yl)prop-2-enoic acid
CID 77112342
N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79329122
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
CID 79329224
2-[(3-ethylimidazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338790
ethane;5-methyl-1-propylimidazole
CID 143939633
(E)-3-(1,3-benzoxazol-2-yl)-4-(3-propylimidazol-4-yl)but-3-enoic acid
CID 167819190
2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79367798

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine (CID 79329480) is N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine is CCCn1cncc1C=C(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
The InChIKey is PRQYWLHQZCTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-18-12-16-11-14(18)9-13(7-2)10-17-15(3,4)5/h9,11-12,17H,6-8,10H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine?
N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-propylimidazol-4-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79329480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).