N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C14H26ClN5O — CID 62862613

IUPACN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCCCOc1nc(Cl)nc(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H26ClN5O/c1-5-10-21-14-18-12(15)17-13(19-14)16-8-6-7-9-20(4)11(2)3/h11H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyLSWKBQBVCHFNRY-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.85
Rot. Bonds10

About N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 62862613) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID62862613
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC NameN-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCCCOc1nc(Cl)nc(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H26ClN5O/c1-5-10-21-14-18-12(15)17-13(19-14)16-8-6-7-9-20(4)11(2)3/h11H,5-10H2,1-4H3,(H,16,17,18,19)
InChIKeyLSWKBQBVCHFNRY-UHFFFAOYSA-N
XLogP2.85
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62863316
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62869585
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 62862613) is N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CCCOc1nc(Cl)nc(NCCCCN(C)C(C)C)n1.
What is the InChIKey of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is LSWKBQBVCHFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5O/c1-5-10-21-14-18-12(15)17-13(19-14)16-8-6-7-9-20(4)11(2)3/h11H,5-10H2,1-4H3,(H,16,17,18,19).
What are the key properties of N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 315.85 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 62862613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).