1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine

C13H23N3O — CID 106127389

IUPAC1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ncccc1OC(C)C
InChIInChI=1S/C13H23N3O/c1-10(2)17-12-7-5-9-16-13(12)15-8-4-6-11(3)14/h5,7,9-11H,4,6,8,14H2,1-3H3,(H,15,16)
InChIKeyACZCBLKAJCTUNR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.41
Rot. Bonds7

About 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine

1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine (PubChem CID 106127389) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
PubChem CID106127389
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ncccc1OC(C)C
InChIInChI=1S/C13H23N3O/c1-10(2)17-12-7-5-9-16-13(12)15-8-4-6-11(3)14/h5,7,9-11H,4,6,8,14H2,1-3H3,(H,15,16)
InChIKeyACZCBLKAJCTUNR-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
CID 106338931
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106048859
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106105523
3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine
CID 75450414
3-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 114169605
3-ethyl-1-[(3-propan-2-yloxy-2-pyridinyl)amino]pentan-2-ol
CID 106287839

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine (CID 106127389) is 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine is CC(N)CCCNc1ncccc1OC(C)C.
What is the InChIKey of 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine?
The InChIKey is ACZCBLKAJCTUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)17-12-7-5-9-16-13(12)15-8-4-6-11(3)14/h5,7,9-11H,4,6,8,14H2,1-3H3,(H,15,16).
What are the key properties of 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine?
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 106127389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).