1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine

C17H43N5 — CID 158256301

IUPAC1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine
SMILESCCCCN1CN(C)CN(C)C1.CCCNC.CCN(C)C
InChIInChI=1S/C9H21N3.2C4H11N/c1-4-5-6-12-8-10(2)7-11(3)9-12;1-4-5(2)3;1-3-4-5-2/h4-9H2,1-3H3;4H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyGHIFRASNQMYWBY-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.02
Rot. Bonds6

About 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine

1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine (PubChem CID 158256301) has the molecular formula C17H43N5 and a molecular weight of 317.57 g/mol. Its IUPAC name is 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine.

Molecular Properties

Compound Name1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine
PubChem CID158256301
Molecular FormulaC17H43N5
Molecular Weight317.57 g/mol
Exact Mass317.35
IUPAC Name1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine
SMILESCCCCN1CN(C)CN(C)C1.CCCNC.CCN(C)C
InChIInChI=1S/C9H21N3.2C4H11N/c1-4-5-6-12-8-10(2)7-11(3)9-12;1-4-5(2)3;1-3-4-5-2/h4-9H2,1-3H3;4H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyGHIFRASNQMYWBY-UHFFFAOYSA-N
XLogP2.02
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-3-methyl-1,3-diazetidine
CID 54539532
4-butyl-1,2-diethyl-1,2,4-triazolidine
CID 163847539
ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine
CID 176946215
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
CID 159576929
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
N-methylbutan-1-amine
CID 8068
N,N-dimethylethanamine;N-methylethanamine
CID 143334981

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine?
The IUPAC name of 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine (CID 158256301) is 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine.
What is the SMILES notation for 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine?
The canonical SMILES for 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine is CCCCN1CN(C)CN(C)C1.CCCNC.CCN(C)C.
What is the InChIKey of 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine?
The InChIKey is GHIFRASNQMYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.2C4H11N/c1-4-5-6-12-8-10(2)7-11(3)9-12;1-4-5(2)3;1-3-4-5-2/h4-9H2,1-3H3;4H2,1-3H3;5H,3-4H2,1-2H3.
What are the key properties of 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine?
1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine has a molecular weight of 317.57 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethyl-1,3,5-triazinane;N,N-dimethylethanamine;N-methylpropan-1-amine is sourced from PubChem (CID 158256301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).