1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine

C15H36N4 — CID 87407366

IUPAC1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine
SMILESCN(C)C(CCCCCC(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H36N4/c1-16(2)14(17(3)4)12-10-9-11-13-15(18(5)6)19(7)8/h14-15H,9-13H2,1-8H3
InChIKeySIKIUFDOPBOLKW-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.84
Rot. Bonds10

About 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine

1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine (PubChem CID 87407366) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine
PubChem CID87407366
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC Name1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine
SMILESCN(C)C(CCCCCC(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H36N4/c1-16(2)14(17(3)4)12-10-9-11-13-15(18(5)6)19(7)8/h14-15H,9-13H2,1-8H3
InChIKeySIKIUFDOPBOLKW-UHFFFAOYSA-N
XLogP1.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
CID 87406982
1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
CID 87407012
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylicosan-5-amine
CID 19862397
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
1-(dimethylamino)decane-1,10-diol
CID 139819105
1-chloro-N,N-dimethylpentadecan-1-amine
CID 165176511
1-(dimethylamino)pentadecan-1-ol
CID 87151804
2-chloro-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 157189725

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine?
The IUPAC name of 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine (CID 87407366) is 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine?
The canonical SMILES for 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine is CN(C)C(CCCCCC(N(C)C)N(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine?
The InChIKey is SIKIUFDOPBOLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-16(2)14(17(3)4)12-10-9-11-13-15(18(5)6)19(7)8/h14-15H,9-13H2,1-8H3.
What are the key properties of 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine?
1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine has a molecular weight of 272.48 g/mol, XLogP of 1.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine is sourced from PubChem (CID 87407366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).