N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine

C28H31NO2 — CID 53235294

IUPACN,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1c(OC)ccc2ccccc12)Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C28H31NO2/c1-4-5-18-29(19-25-23-12-8-6-10-21(23)14-16-27(25)30-2)20-26-24-13-9-7-11-22(24)15-17-28(26)31-3/h6-17H,4-5,18-20H2,1-3H3
InChIKeyVMMHLGKJASCUCI-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.81
Rot. Bonds9

About N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine

N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine (PubChem CID 53235294) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine
PubChem CID53235294
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1c(OC)ccc2ccccc12)Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C28H31NO2/c1-4-5-18-29(19-25-23-12-8-6-10-21(23)14-16-27(25)30-2)20-26-24-13-9-7-11-22(24)15-17-28(26)31-3/h6-17H,4-5,18-20H2,1-3H3
InChIKeyVMMHLGKJASCUCI-UHFFFAOYSA-N
XLogP6.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
1-heptylsulfanyl-2-methoxynaphthalene
CID 10755818
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
CID 5262106
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine?
The IUPAC name of N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine (CID 53235294) is N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine?
The canonical SMILES for N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine is CCCCN(Cc1c(OC)ccc2ccccc12)Cc1c(OC)ccc2ccccc12.
What is the InChIKey of N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine?
The InChIKey is VMMHLGKJASCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-4-5-18-29(19-25-23-12-8-6-10-21(23)14-16-27(25)30-2)20-26-24-13-9-7-11-22(24)15-17-28(26)31-3/h6-17H,4-5,18-20H2,1-3H3.
What are the key properties of N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine?
N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine has a molecular weight of 413.56 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 53235294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).