N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine

C36H44N2O2 — CID 44531762

IUPACN,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
SMILESc1ccc2c(CNCCCCCCNCc3c(OCC4CC4)ccc4ccccc34)c(OCC3CC3)ccc2c1
InChIInChI=1S/C36H44N2O2/c1(7-21-37-23-33-31-11-5-3-9-29(31)17-19-35(33)39-25-27-13-14-27)2-8-22-38-24-34-32-12-6-4-10-30(32)18-20-36(34)40-26-28-15-16-28/h3-6,9-12,17-20,27-28,37-38H,1-2,7-8,13-16,21-26H2
InChIKeyOYOPUPNFUYEBTO-UHFFFAOYSA-N
MW536.76 g/mol
LogP8.01
Rot. Bonds17

About N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine

N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine (PubChem CID 44531762) has the molecular formula C36H44N2O2 and a molecular weight of 536.76 g/mol. Its IUPAC name is N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
PubChem CID44531762
Molecular FormulaC36H44N2O2
Molecular Weight536.76 g/mol
Exact Mass536.34
IUPAC NameN,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
SMILESc1ccc2c(CNCCCCCCNCc3c(OCC4CC4)ccc4ccccc34)c(OCC3CC3)ccc2c1
InChIInChI=1S/C36H44N2O2/c1(7-21-37-23-33-31-11-5-3-9-29(31)17-19-35(33)39-25-27-13-14-27)2-8-22-38-24-34-32-12-6-4-10-30(32)18-20-36(34)40-26-28-15-16-28/h3-6,9-12,17-20,27-28,37-38H,1-2,7-8,13-16,21-26H2
InChIKeyOYOPUPNFUYEBTO-UHFFFAOYSA-N
XLogP8.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N,N'-bis[(2-prop-2-ynoxynaphthalen-1-yl)methyl]hexane-1,6-diamine
CID 44531760
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine (CID 44531762) is N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine is c1ccc2c(CNCCCCCCNCc3c(OCC4CC4)ccc4ccccc34)c(OCC3CC3)ccc2c1.
What is the InChIKey of N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
The InChIKey is OYOPUPNFUYEBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O2/c1(7-21-37-23-33-31-11-5-3-9-29(31)17-19-35(33)39-25-27-13-14-27)2-8-22-38-24-34-32-12-6-4-10-30(32)18-20-36(34)40-26-28-15-16-28/h3-6,9-12,17-20,27-28,37-38H,1-2,7-8,13-16,21-26H2.
What are the key properties of N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine?
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine has a molecular weight of 536.76 g/mol, XLogP of 8.01, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine is sourced from PubChem (CID 44531762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).