N'-(anthracen-9-ylmethyl)butane-1,4-diamine

C19H22N2 — CID 11208207

IUPACN'-(anthracen-9-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H22N2/c20-11-5-6-12-21-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-4,7-10,13,21H,5-6,11-12,14,20H2
InChIKeySPEOYQLVFAZKPA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.82
Rot. Bonds6

About N'-(anthracen-9-ylmethyl)butane-1,4-diamine

N'-(anthracen-9-ylmethyl)butane-1,4-diamine (PubChem CID 11208207) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-(anthracen-9-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(anthracen-9-ylmethyl)butane-1,4-diamine
PubChem CID11208207
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN'-(anthracen-9-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H22N2/c20-11-5-6-12-21-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-4,7-10,13,21H,5-6,11-12,14,20H2
InChIKeySPEOYQLVFAZKPA-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N-(anthracen-9-ylmethyl)dodecan-1-amine
CID 101083896
6-(anthracen-9-ylmethylamino)hexan-1-ol
CID 11404042
N'-(anthracen-9-ylmethyl)propane-1,3-diamine;platinum(2+);2-pyridin-2-ylpyridine;dichloride
CID 11342924
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
N'-[4-[4-aminobutyl(anthracen-9-ylmethyl)amino]butyl]butane-1,4-diamine;trihydrochloride
CID 11548249
1-N'-(4-aminobutyl)-1-N'-[3-(anthracen-9-ylmethylamino)propyl]butane-1,1-diamine
CID 91070206
N'-[4-(4-aminobutylamino)butyl]-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine;tetrahydrochloride
CID 22244755
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine
CID 73296223
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415

Frequently Asked Questions

What is the IUPAC name of N'-(anthracen-9-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-(anthracen-9-ylmethyl)butane-1,4-diamine (CID 11208207) is N'-(anthracen-9-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(anthracen-9-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-(anthracen-9-ylmethyl)butane-1,4-diamine is NCCCCNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of N'-(anthracen-9-ylmethyl)butane-1,4-diamine?
The InChIKey is SPEOYQLVFAZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c20-11-5-6-12-21-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-4,7-10,13,21H,5-6,11-12,14,20H2.
What are the key properties of N'-(anthracen-9-ylmethyl)butane-1,4-diamine?
N'-(anthracen-9-ylmethyl)butane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(anthracen-9-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 11208207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).