N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine

C17H28N2 — CID 167004349

IUPACN-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine
SMILESC=C(C)N(CCCC)C1=CN=C(C2CC(C)C2)CC1
InChIInChI=1S/C17H28N2/c1-5-6-9-19(13(2)3)16-7-8-17(18-12-16)15-10-14(4)11-15/h12,14-15H,2,5-11H2,1,3-4H3
InChIKeyZRDRBULQSFMIPB-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.74
Rot. Bonds6

About N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine

N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine (PubChem CID 167004349) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine
PubChem CID167004349
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine
SMILESC=C(C)N(CCCC)C1=CN=C(C2CC(C)C2)CC1
InChIInChI=1S/C17H28N2/c1-5-6-9-19(13(2)3)16-7-8-17(18-12-16)15-10-14(4)11-15/h12,14-15H,2,5-11H2,1,3-4H3
InChIKeyZRDRBULQSFMIPB-UHFFFAOYSA-N
XLogP4.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine?
The IUPAC name of N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine (CID 167004349) is N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine is C=C(C)N(CCCC)C1=CN=C(C2CC(C)C2)CC1.
What is the InChIKey of N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine?
The InChIKey is ZRDRBULQSFMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-6-9-19(13(2)3)16-7-8-17(18-12-16)15-10-14(4)11-15/h12,14-15H,2,5-11H2,1,3-4H3.
What are the key properties of N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine?
N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine has a molecular weight of 260.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methylcyclobutyl)-N-prop-1-en-2-yl-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 167004349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).