N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine

C20H32N4 — CID 46896769

IUPACN,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
SMILESNCCCNCCCCN(CCCN)c1cccc2ccccc12
InChIInChI=1S/C20H32N4/c21-12-6-15-23-14-3-4-16-24(17-7-13-22)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,23H,3-4,6-7,12-17,21-22H2
InChIKeyKDSGFSIHYUTCKQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.71
Rot. Bonds12

About N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine

N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine (PubChem CID 46896769) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
PubChem CID46896769
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
SMILESNCCCNCCCCN(CCCN)c1cccc2ccccc12
InChIInChI=1S/C20H32N4/c21-12-6-15-23-14-3-4-16-24(17-7-13-22)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,23H,3-4,6-7,12-17,21-22H2
InChIKeyKDSGFSIHYUTCKQ-UHFFFAOYSA-N
XLogP2.71
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N'-[4-[4-aminobutyl(anthracen-9-ylmethyl)amino]butyl]butane-1,4-diamine;trihydrochloride
CID 11548249
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N'-[4-(4-aminobutylamino)butyl]-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine;tetrahydrochloride
CID 22244755
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine
CID 73296223
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 62574394
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine?
The IUPAC name of N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine (CID 46896769) is N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine.
What is the SMILES notation for N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine?
The canonical SMILES for N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine is NCCCNCCCCN(CCCN)c1cccc2ccccc12.
What is the InChIKey of N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine?
The InChIKey is KDSGFSIHYUTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c21-12-6-15-23-14-3-4-16-24(17-7-13-22)20-11-5-9-18-8-1-2-10-19(18)20/h1-2,5,8-11,23H,3-4,6-7,12-17,21-22H2.
What are the key properties of N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine?
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine has a molecular weight of 328.50 g/mol, XLogP of 2.71, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine is sourced from PubChem (CID 46896769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).