ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine

C13H24N2 — CID 156850242

IUPACethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCC.CC(C)CCNCc1ccncc1
InChIInChI=1S/C11H18N2.C2H6/c1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-2/h4-5,7-8,10,13H,3,6,9H2,1-2H3;1-2H3
InChIKeyQTLCBKDUOHUSLB-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds5

About ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine

ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine (PubChem CID 156850242) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Nameethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
PubChem CID156850242
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCC.CC(C)CCNCc1ccncc1
InChIInChI=1S/C11H18N2.C2H6/c1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-2/h4-5,7-8,10,13H,3,6,9H2,1-2H3;1-2H3
InChIKeyQTLCBKDUOHUSLB-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
N'-ethyl-N-(3-methylbutyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62554222
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-(pyridin-4-ylmethyl)pent-3-yn-1-amine
CID 104806169

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine?
The IUPAC name of ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine (CID 156850242) is ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine?
The canonical SMILES for ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine is CC.CC(C)CCNCc1ccncc1.
What is the InChIKey of ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine?
The InChIKey is QTLCBKDUOHUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-2/h4-5,7-8,10,13H,3,6,9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine?
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 156850242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).