octadecane-1,6,7,18-tetramine

C18H42N4 — CID 56630973

IUPACoctadecane-1,6,7,18-tetramine
SMILESNCCCCCCCCCCCC(N)C(N)CCCCCN
InChIInChI=1S/C18H42N4/c19-15-11-7-5-3-1-2-4-6-9-13-17(21)18(22)14-10-8-12-16-20/h17-18H,1-16,19-22H2
InChIKeyOAOUGODYNAYKSY-UHFFFAOYSA-N
MW314.56 g/mol
LogP3.02
Rot. Bonds17

About octadecane-1,6,7,18-tetramine

octadecane-1,6,7,18-tetramine (PubChem CID 56630973) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is octadecane-1,6,7,18-tetramine.

Molecular Properties

Compound Nameoctadecane-1,6,7,18-tetramine
PubChem CID56630973
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC Nameoctadecane-1,6,7,18-tetramine
SMILESNCCCCCCCCCCCC(N)C(N)CCCCCN
InChIInChI=1S/C18H42N4/c19-15-11-7-5-3-1-2-4-6-9-13-17(21)18(22)14-10-8-12-16-20/h17-18H,1-16,19-22H2
InChIKeyOAOUGODYNAYKSY-UHFFFAOYSA-N
XLogP3.02
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
2-(7-aminoheptyl)propanedioic acid
CID 90276909
2-(11-aminoundecyl)propanedioic acid
CID 87187189
1-bromohexane-1,6-diamine
CID 174353675
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
1,6-diaminohexan-1-ol
CID 57008257
undecane-1,10-diamine
CID 140782210
1-iododecane-1,10-diamine
CID 175279846
1-bromododecane-1,12-diamine
CID 175488635

Frequently Asked Questions

What is the IUPAC name of octadecane-1,6,7,18-tetramine?
The IUPAC name of octadecane-1,6,7,18-tetramine (CID 56630973) is octadecane-1,6,7,18-tetramine.
What is the SMILES notation for octadecane-1,6,7,18-tetramine?
The canonical SMILES for octadecane-1,6,7,18-tetramine is NCCCCCCCCCCCC(N)C(N)CCCCCN.
What is the InChIKey of octadecane-1,6,7,18-tetramine?
The InChIKey is OAOUGODYNAYKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c19-15-11-7-5-3-1-2-4-6-9-13-17(21)18(22)14-10-8-12-16-20/h17-18H,1-16,19-22H2.
What are the key properties of octadecane-1,6,7,18-tetramine?
octadecane-1,6,7,18-tetramine has a molecular weight of 314.56 g/mol, XLogP of 3.02, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane-1,6,7,18-tetramine is sourced from PubChem (CID 56630973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).