N-(anthracen-9-ylmethyl)dodecan-1-amine

C27H37N — CID 101083896

IUPACN-(anthracen-9-ylmethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H37N/c1-2-3-4-5-6-7-8-9-10-15-20-28-22-27-25-18-13-11-16-23(25)21-24-17-12-14-19-26(24)27/h11-14,16-19,21,28H,2-10,15,20,22H2,1H3
InChIKeyHWNARMADWHWKJE-UHFFFAOYSA-N
MW375.60 g/mol
LogP8.00
Rot. Bonds13

About N-(anthracen-9-ylmethyl)dodecan-1-amine

N-(anthracen-9-ylmethyl)dodecan-1-amine (PubChem CID 101083896) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)dodecan-1-amine
PubChem CID101083896
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC NameN-(anthracen-9-ylmethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H37N/c1-2-3-4-5-6-7-8-9-10-15-20-28-22-27-25-18-13-11-16-23(25)21-24-17-12-14-19-26(24)27/h11-14,16-19,21,28H,2-10,15,20,22H2,1H3
InChIKeyHWNARMADWHWKJE-UHFFFAOYSA-N
XLogP8.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
6-(anthracen-9-ylmethylamino)hexan-1-ol
CID 11404042
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N,N'-bis[(2,3-dimethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531707
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
N-(anthracen-9-ylmethyl)octan-1-amine;(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 131744334

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)dodecan-1-amine?
The IUPAC name of N-(anthracen-9-ylmethyl)dodecan-1-amine (CID 101083896) is N-(anthracen-9-ylmethyl)dodecan-1-amine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)dodecan-1-amine?
The canonical SMILES for N-(anthracen-9-ylmethyl)dodecan-1-amine is CCCCCCCCCCCCNCc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethyl)dodecan-1-amine?
The InChIKey is HWNARMADWHWKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N/c1-2-3-4-5-6-7-8-9-10-15-20-28-22-27-25-18-13-11-16-23(25)21-24-17-12-14-19-26(24)27/h11-14,16-19,21,28H,2-10,15,20,22H2,1H3.
What are the key properties of N-(anthracen-9-ylmethyl)dodecan-1-amine?
N-(anthracen-9-ylmethyl)dodecan-1-amine has a molecular weight of 375.60 g/mol, XLogP of 8.00, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)dodecan-1-amine is sourced from PubChem (CID 101083896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).