N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine

C17H29N3O — CID 80631876

IUPACN,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)CC2CCCCO2)c(C)c1
InChIInChI=1S/C17H29N3O/c1-4-8-18-11-15-10-14(2)17(19-12-15)20(3)13-16-7-5-6-9-21-16/h10,12,16,18H,4-9,11,13H2,1-3H3
InChIKeyDTOBWDHJBAPNAE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.89
Rot. Bonds7

About N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine

N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 80631876) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
PubChem CID80631876
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)CC2CCCCO2)c(C)c1
InChIInChI=1S/C17H29N3O/c1-4-8-18-11-15-10-14(2)17(19-12-15)20(3)13-16-7-5-6-9-21-16/h10,12,16,18H,4-9,11,13H2,1-3H3
InChIKeyDTOBWDHJBAPNAE-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
[5-methyl-6-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 80632448
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine (CID 80631876) is N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1cnc(N(C)CC2CCCCO2)c(C)c1.
What is the InChIKey of N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is DTOBWDHJBAPNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-18-11-15-10-14(2)17(19-12-15)20(3)13-16-7-5-6-9-21-16/h10,12,16,18H,4-9,11,13H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine?
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80631876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).