N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine

C19H29N3 — CID 11255033

IUPACN'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCc1cccc2ccccc12
InChIInChI=1S/C19H29N3/c20-12-3-4-13-21-14-5-6-15-22-16-18-10-7-9-17-8-1-2-11-19(17)18/h1-2,7-11,21-22H,3-6,12-16,20H2
InChIKeyLSZQMBGSRGITMM-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.04
Rot. Bonds11

About N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine

N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine (PubChem CID 11255033) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
PubChem CID11255033
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCc1cccc2ccccc12
InChIInChI=1S/C19H29N3/c20-12-3-4-13-21-14-5-6-15-22-16-18-10-7-9-17-8-1-2-11-19(17)18/h1-2,7-11,21-22H,3-6,12-16,20H2
InChIKeyLSZQMBGSRGITMM-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946
CID 59694789
CID 59694789
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638

Frequently Asked Questions

What is the IUPAC name of N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine?
The IUPAC name of N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine (CID 11255033) is N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine.
What is the SMILES notation for N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine?
The canonical SMILES for N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine is NCCCCNCCCCNCc1cccc2ccccc12.
What is the InChIKey of N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine?
The InChIKey is LSZQMBGSRGITMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c20-12-3-4-13-21-14-5-6-15-22-16-18-10-7-9-17-8-1-2-11-19(17)18/h1-2,7-11,21-22H,3-6,12-16,20H2.
What are the key properties of N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine?
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine has a molecular weight of 299.46 g/mol, XLogP of 3.04, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine is sourced from PubChem (CID 11255033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).