N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine

C12H22N2 — CID 163998141

IUPACN-ethyl-N-pentyl-3,4-dihydropyridin-2-amine
SMILESCCCCCN(CC)C1=NC=CCC1
InChIInChI=1S/C12H22N2/c1-3-5-8-11-14(4-2)12-9-6-7-10-13-12/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyUGNSWNMEKWYWNF-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine

N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine (PubChem CID 163998141) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-pentyl-3,4-dihydropyridin-2-amine
PubChem CID163998141
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-N-pentyl-3,4-dihydropyridin-2-amine
SMILESCCCCCN(CC)C1=NC=CCC1
InChIInChI=1S/C12H22N2/c1-3-5-8-11-14(4-2)12-9-6-7-10-13-12/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyUGNSWNMEKWYWNF-UHFFFAOYSA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-Diazabicyclo(5.4.0)undecen-7-ene
CID 21979529
N-cyclohexyl-N-methyl-3,4-dihydropyridin-2-amine
CID 57112228
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
1-(3H-pyrrol-2-yl)azepane
CID 59156446
1,1,2,4-Tetrabutylimidazol-1-ium
CID 67304013
1-Methyl-4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepin-5-ium
CID 68421203
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
N,N-bis(prop-2-enyl)-3,4-dihydropyridin-2-amine
CID 70579189
5-methyl-N,N-dipropyl-3,4-dihydropyridin-2-amine
CID 89192335
N-methyl-N-pent-4-enyl-N'-prop-1-en-2-ylethanimidamide
CID 89192495
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
8,9-dihydro-4H-pyrido[1,2-a]pyrimidine
CID 118369227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine (CID 163998141) is N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine is CCCCCN(CC)C1=NC=CCC1.
What is the InChIKey of N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine?
The InChIKey is UGNSWNMEKWYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-8-11-14(4-2)12-9-6-7-10-13-12/h7,10H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine?
N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 163998141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).