N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

C17H31N3 — CID 62258081

IUPACN',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)CCc1ccncc1
InChIInChI=1S/C17H31N3/c1-15(2)12-19-13-17(3,4)14-20(5)11-8-16-6-9-18-10-7-16/h6-7,9-10,15,19H,8,11-14H2,1-5H3
InChIKeyGAJZVFAMHKLXTC-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.83
Rot. Bonds9

About N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (PubChem CID 62258081) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
PubChem CID62258081
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)CCc1ccncc1
InChIInChI=1S/C17H31N3/c1-15(2)12-19-13-17(3,4)14-20(5)11-8-16-6-9-18-10-7-16/h6-7,9-10,15,19H,8,11-14H2,1-5H3
InChIKeyGAJZVFAMHKLXTC-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
CID 64825661
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258429

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (CID 62258081) is N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)CCc1ccncc1.
What is the InChIKey of N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The InChIKey is GAJZVFAMHKLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-15(2)12-19-13-17(3,4)14-20(5)11-8-16-6-9-18-10-7-16/h6-7,9-10,15,19H,8,11-14H2,1-5H3.
What are the key properties of N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62258081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).