N"-(cyclooctatetraenylmethyl)methanetriamine

C10H15N3 — CID 163949053

IUPACN"-(cyclooctatetraenylmethyl)methanetriamine
SMILESNC(N)NCC1=CC=CC=CC=C1
InChIInChI=1S/C10H15N3/c11-10(12)13-8-9-6-4-2-1-3-5-7-9/h1-7,10,13H,8,11-12H2
InChIKeyRXRPNEVDMNIGNM-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.39
Rot. Bonds3

About N"-(cyclooctatetraenylmethyl)methanetriamine

N"-(cyclooctatetraenylmethyl)methanetriamine (PubChem CID 163949053) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N"-(cyclooctatetraenylmethyl)methanetriamine.

Molecular Properties

Compound NameN"-(cyclooctatetraenylmethyl)methanetriamine
PubChem CID163949053
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN"-(cyclooctatetraenylmethyl)methanetriamine
SMILESNC(N)NCC1=CC=CC=CC=C1
InChIInChI=1S/C10H15N3/c11-10(12)13-8-9-6-4-2-1-3-5-7-9/h1-7,10,13H,8,11-12H2
InChIKeyRXRPNEVDMNIGNM-UHFFFAOYSA-N
XLogP0.39
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
CID 143671711
(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 87199513
(2E,3Z)-2-ethylidene-N-methylhexa-3,5-dien-1-amine
CID 88223558
(Z,2E)-2-ethylidene-N-methylpent-3-en-1-amine
CID 88225011
(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine
CID 89185795
(3Z)-N-methyl-2-methylidenehexa-3,5-dien-1-amine
CID 89259714
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 89431220
1-cyclohexa-1,5-dien-1-yl-N'-methylmethanediamine
CID 89531123
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
N-methyl-2-methylidenehexa-3,5-dien-1-amine
CID 90893908
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
2-ethylidene-N-methylpent-3-en-1-amine
CID 91027417

Frequently Asked Questions

What is the IUPAC name of N"-(cyclooctatetraenylmethyl)methanetriamine?
The IUPAC name of N"-(cyclooctatetraenylmethyl)methanetriamine (CID 163949053) is N"-(cyclooctatetraenylmethyl)methanetriamine.
What is the SMILES notation for N"-(cyclooctatetraenylmethyl)methanetriamine?
The canonical SMILES for N"-(cyclooctatetraenylmethyl)methanetriamine is NC(N)NCC1=CC=CC=CC=C1.
What is the InChIKey of N"-(cyclooctatetraenylmethyl)methanetriamine?
The InChIKey is RXRPNEVDMNIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-10(12)13-8-9-6-4-2-1-3-5-7-9/h1-7,10,13H,8,11-12H2.
What are the key properties of N"-(cyclooctatetraenylmethyl)methanetriamine?
N"-(cyclooctatetraenylmethyl)methanetriamine has a molecular weight of 177.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(cyclooctatetraenylmethyl)methanetriamine is sourced from PubChem (CID 163949053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).