2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine

C14H26N2 — CID 139538966

IUPAC2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
SMILESCCCN(CCC)C1CC=CN=C1C(C)C
InChIInChI=1S/C14H26N2/c1-5-10-16(11-6-2)13-8-7-9-15-14(13)12(3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3
InChIKeyMYVGELCPMOMYRF-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds6

About 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine

2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine (PubChem CID 139538966) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
PubChem CID139538966
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
SMILESCCCN(CCC)C1CC=CN=C1C(C)C
InChIInChI=1S/C14H26N2/c1-5-10-16(11-6-2)13-8-7-9-15-14(13)12(3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3
InChIKeyMYVGELCPMOMYRF-UHFFFAOYSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59559362
1,2-di(propan-2-yl)-3H-pyrrol-1-ium
CID 60102694
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
1-[1-(2-ethenylhexyl)aziridin-2-yl]-N-propylethanimine
CID 123740230
1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine
CID 149110863
N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
CID 168940529
Ethane;2-propan-2-yl-3,4-dihydropyridine
CID 170579308
N-ethenyl-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 172350879

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine?
The IUPAC name of 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine (CID 139538966) is 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine.
What is the SMILES notation for 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine?
The canonical SMILES for 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine is CCCN(CCC)C1CC=CN=C1C(C)C.
What is the InChIKey of 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine?
The InChIKey is MYVGELCPMOMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-10-16(11-6-2)13-8-7-9-15-14(13)12(3)4/h7,9,12-13H,5-6,8,10-11H2,1-4H3.
What are the key properties of 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine?
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine has a molecular weight of 222.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine is sourced from PubChem (CID 139538966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).