N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H27N3 — CID 55054776

IUPACN-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCCN(C)c1cccc(CNC(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-6-7-11-18(4)15-10-8-9-14(17-15)12-16-13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3
InChIKeyNFQYMZDACRHXMO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds8

About N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine

N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 55054776) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID55054776
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCCN(C)c1cccc(CNC(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-6-7-11-18(4)15-10-8-9-14(17-15)12-16-13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3
InChIKeyNFQYMZDACRHXMO-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
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-6-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81075076
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
N-(cyclopropylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284019
N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287465
6-fluoro-N-methyl-N-pentylpyridin-2-amine
CID 61230318
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
6-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 55059034
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66450851
N-ethyl-N-(2-methylprop-2-enyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279989

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 55054776) is N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CCCCCN(C)c1cccc(CNC(C)C)n1.
What is the InChIKey of N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is NFQYMZDACRHXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-7-11-18(4)15-10-8-9-14(17-15)12-16-13(2)3/h8-10,13,16H,5-7,11-12H2,1-4H3.
What are the key properties of N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 55054776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).