N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine

C15H28N4 — CID 64857574

IUPACN,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
SMILESCCCc1nc2c(n1CCCCN(C)C)CCNC2
InChIInChI=1S/C15H28N4/c1-4-7-15-17-13-12-16-9-8-14(13)19(15)11-6-5-10-18(2)3/h16H,4-12H2,1-3H3
InChIKeyAVPGBWQLIHHTBI-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.82
Rot. Bonds7

About N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine

N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine (PubChem CID 64857574) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
PubChem CID64857574
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
SMILESCCCc1nc2c(n1CCCCN(C)C)CCNC2
InChIInChI=1S/C15H28N4/c1-4-7-15-17-13-12-16-9-8-14(13)19(15)11-6-5-10-18(2)3/h16H,4-12H2,1-3H3
InChIKeyAVPGBWQLIHHTBI-UHFFFAOYSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine (CID 64857574) is N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine is CCCc1nc2c(n1CCCCN(C)C)CCNC2.
What is the InChIKey of N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The InChIKey is AVPGBWQLIHHTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-15-17-13-12-16-9-8-14(13)19(15)11-6-5-10-18(2)3/h16H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 64857574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).