1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine

C24H30N6 — CID 177421480

IUPAC1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
SMILESc1cncc(CNC2CC(NCc3cccnc3)CC(NCc3cccnc3)C2)c1
InChIInChI=1S/C24H30N6/c1-4-19(13-25-7-1)16-28-22-10-23(29-17-20-5-2-8-26-14-20)12-24(11-22)30-18-21-6-3-9-27-15-21/h1-9,13-15,22-24,28-30H,10-12,16-18H2
InChIKeyYPPIMMKJRPKKPN-UHFFFAOYSA-N
MW402.55 g/mol
LogP2.83
Rot. Bonds9

About 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine (PubChem CID 177421480) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
PubChem CID177421480
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
SMILESc1cncc(CNC2CC(NCc3cccnc3)CC(NCc3cccnc3)C2)c1
InChIInChI=1S/C24H30N6/c1-4-19(13-25-7-1)16-28-22-10-23(29-17-20-5-2-8-26-14-20)12-24(11-22)30-18-21-6-3-9-27-15-21/h1-9,13-15,22-24,28-30H,10-12,16-18H2
InChIKeyYPPIMMKJRPKKPN-UHFFFAOYSA-N
XLogP2.83
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 79941881
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300399

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine (CID 177421480) is 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine is c1cncc(CNC2CC(NCc3cccnc3)CC(NCc3cccnc3)C2)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine?
The InChIKey is YPPIMMKJRPKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-4-19(13-25-7-1)16-28-22-10-23(29-17-20-5-2-8-26-14-20)12-24(11-22)30-18-21-6-3-9-27-15-21/h1-9,13-15,22-24,28-30H,10-12,16-18H2.
What are the key properties of 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine?
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine has a molecular weight of 402.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine is sourced from PubChem (CID 177421480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).