N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine

C16H29N3 — CID 62466441

IUPACN-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCCCCN(Cc1ccnc(NCC)c1)C(C)C
InChIInChI=1S/C16H29N3/c1-5-7-8-11-19(14(3)4)13-15-9-10-18-16(12-15)17-6-2/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,17,18)
InChIKeyAKRROEATAIEEHC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds9

About N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine

N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 62466441) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID62466441
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCCCCN(Cc1ccnc(NCC)c1)C(C)C
InChIInChI=1S/C16H29N3/c1-5-7-8-11-19(14(3)4)13-15-9-10-18-16(12-15)17-6-2/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,17,18)
InChIKeyAKRROEATAIEEHC-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62466263
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62465051
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-ethylpyridin-2-amine
CID 62464510
N-ethyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243292
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62244577
4-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460
4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62471589
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-sulfonamide
CID 55043729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine (CID 62466441) is N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine is CCCCCN(Cc1ccnc(NCC)c1)C(C)C.
What is the InChIKey of N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is AKRROEATAIEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-7-8-11-19(14(3)4)13-15-9-10-18-16(12-15)17-6-2/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62466441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).