N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine

C15H26N2O — CID 58313525

IUPACN-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine
SMILESCOc1ncccc1C(C)CCCNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-12(8-6-11-17-15(2,3)4)13-9-7-10-16-14(13)18-5/h7,9-10,12,17H,6,8,11H2,1-5H3
InChIKeyFNKBKWYCJBZNSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.36
Rot. Bonds6

About N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine

N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine (PubChem CID 58313525) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine
PubChem CID58313525
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine
SMILESCOc1ncccc1C(C)CCCNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-12(8-6-11-17-15(2,3)4)13-9-7-10-16-14(13)18-5/h7,9-10,12,17H,6,8,11H2,1-5H3
InChIKeyFNKBKWYCJBZNSM-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.36
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

(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
3-butan-2-yl-2-methoxypyridine
CID 130368185
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
[4-methoxy-1-(2-methoxy-3-pyridinyl)-2-methylbutyl]hydrazine
CID 105337951
1-(2-methoxy-3-pyridinyl)propylhydrazine
CID 105281861
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine (CID 58313525) is N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine is COc1ncccc1C(C)CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine?
The InChIKey is FNKBKWYCJBZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(8-6-11-17-15(2,3)4)13-9-7-10-16-14(13)18-5/h7,9-10,12,17H,6,8,11H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine?
N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methoxy-3-pyridinyl)pentan-1-amine is sourced from PubChem (CID 58313525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).