N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

C17H29N7 — CID 126821383

IUPACN'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN(C)Cc1nnnn1C(C)(C)C)Cc1ccncc1
InChIInChI=1S/C17H29N7/c1-17(2,3)24-16(19-20-21-24)14-23(5)12-6-11-22(4)13-15-7-9-18-10-8-15/h7-10H,6,11-14H2,1-5H3
InChIKeyCKAJQMNALVZPFG-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.78
Rot. Bonds8

About N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 126821383) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID126821383
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN(C)Cc1nnnn1C(C)(C)C)Cc1ccncc1
InChIInChI=1S/C17H29N7/c1-17(2,3)24-16(19-20-21-24)14-23(5)12-6-11-22(4)13-15-7-9-18-10-8-15/h7-10H,6,11-14H2,1-5H3
InChIKeyCKAJQMNALVZPFG-UHFFFAOYSA-N
XLogP1.78
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine with MolForge

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Related Compounds

N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 86794347
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazole-4-carboxylic acid
CID 43564382
3-[[(1-tert-butyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23941628

Frequently Asked Questions

What is the IUPAC name of N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 126821383) is N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is CN(CCCN(C)Cc1nnnn1C(C)(C)C)Cc1ccncc1.
What is the InChIKey of N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is CKAJQMNALVZPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-17(2,3)24-16(19-20-21-24)14-23(5)12-6-11-22(4)13-15-7-9-18-10-8-15/h7-10H,6,11-14H2,1-5H3.
What are the key properties of N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 331.47 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-tert-butyltetrazol-5-yl)methyl]-N,N'-dimethyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 126821383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).