2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine

C15H27N3O — CID 106142911

IUPAC2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
SMILESCCCOc1cccnc1NCC(C)(C)CCCN
InChIInChI=1S/C15H27N3O/c1-4-11-19-13-7-5-10-17-14(13)18-12-15(2,3)8-6-9-16/h5,7,10H,4,6,8-9,11-12,16H2,1-3H3,(H,17,18)
InChIKeyMPUXQMJKCDVCLW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds9

About 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine

2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine (PubChem CID 106142911) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
PubChem CID106142911
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
SMILESCCCOc1cccnc1NCC(C)(C)CCCN
InChIInChI=1S/C15H27N3O/c1-4-11-19-13-7-5-10-17-14(13)18-12-15(2,3)8-6-9-16/h5,7,10H,4,6,8-9,11-12,16H2,1-3H3,(H,17,18)
InChIKeyMPUXQMJKCDVCLW-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
N-(4-chloro-2,2-dimethylbutyl)-3-ethoxypyridin-2-amine
CID 106141771
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine (CID 106142911) is 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine is CCCOc1cccnc1NCC(C)(C)CCCN.
What is the InChIKey of 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is MPUXQMJKCDVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-11-19-13-7-5-10-17-14(13)18-12-15(2,3)8-6-9-16/h5,7,10H,4,6,8-9,11-12,16H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine?
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 106142911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).