N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

C14H25N3 — CID 60850476

IUPACN-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-8-5-11-17(4)12-13-6-9-15-10-7-13/h6-7,9-10,16H,5,8,11-12H2,1-4H3
InChIKeyHGQXXLMCXKTBMF-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds6

About N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 60850476) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID60850476
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNC(C)(C)C)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-8-5-11-17(4)12-13-6-9-15-10-7-13/h6-7,9-10,16H,5,8,11-12H2,1-4H3
InChIKeyHGQXXLMCXKTBMF-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
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-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 126821383

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 60850476) is N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CN(CCCNC(C)(C)C)Cc1ccncc1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is HGQXXLMCXKTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)16-8-5-11-17(4)12-13-6-9-15-10-7-13/h6-7,9-10,16H,5,8,11-12H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 60850476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).