1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine

C15H36N4 — CID 87644047

IUPAC1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine
SMILESCC(CCCN(C)C)C(N)(CCCN(C)C)N(C)C
InChIInChI=1S/C15H36N4/c1-14(10-8-12-17(2)3)15(16,19(6)7)11-9-13-18(4)5/h14H,8-13,16H2,1-7H3
InChIKeyWTWLUHYDUDLMFJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.52
Rot. Bonds10

About 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine

1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine (PubChem CID 87644047) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine.

Molecular Properties

Compound Name1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine
PubChem CID87644047
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC Name1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine
SMILESCC(CCCN(C)C)C(N)(CCCN(C)C)N(C)C
InChIInChI=1S/C15H36N4/c1-14(10-8-12-17(2)3)15(16,19(6)7)11-9-13-18(4)5/h14H,8-13,16H2,1-7H3
InChIKeyWTWLUHYDUDLMFJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine with MolForge

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Related Compounds

4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 58251491
1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
CID 63701294
1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
CID 118887657
1-N,1-N,6-N,6-N,4,4,5,5,6-nonamethylheptane-1,6-diamine
CID 140667083
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine?
The IUPAC name of 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine (CID 87644047) is 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine.
What is the SMILES notation for 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine?
The canonical SMILES for 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine is CC(CCCN(C)C)C(N)(CCCN(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine?
The InChIKey is WTWLUHYDUDLMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-14(10-8-12-17(2)3)15(16,19(6)7)11-9-13-18(4)5/h14H,8-13,16H2,1-7H3.
What are the key properties of 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine?
1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine has a molecular weight of 272.48 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N',4-N',8-N,8-N,5-heptamethyloctane-1,4,4,8-tetramine is sourced from PubChem (CID 87644047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).