(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine

C19H28N2 — CID 129412307

IUPAC(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-14,16,20H,4-5,9-10,15H2,1-3H3/t16-/m1/s1
InChIKeyHCFQEJYDIGWVOB-MRXNPFEDSA-N
MW284.45 g/mol
LogP4.76
Rot. Bonds8

About (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine

(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine (PubChem CID 129412307) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine.

Molecular Properties

Compound Name(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
PubChem CID129412307
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-14,16,20H,4-5,9-10,15H2,1-3H3/t16-/m1/s1
InChIKeyHCFQEJYDIGWVOB-MRXNPFEDSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-ylnaphthalen-1-amine
CID 43757471
2-[4-[(6-chloronaphthalen-1-yl)amino]pentyl-ethylamino]ethanol
CID 59964249
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine
CID 125480311
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
4-N-(3-chloro-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 104835675
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 121402587
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144

Frequently Asked Questions

What is the IUPAC name of (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine?
The IUPAC name of (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine (CID 129412307) is (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine.
What is the SMILES notation for (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine?
The canonical SMILES for (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine is CCN(CC)CCC[C@@H](C)Nc1cccc2ccccc12.
What is the InChIKey of (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine?
The InChIKey is HCFQEJYDIGWVOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-14,16,20H,4-5,9-10,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine?
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine is sourced from PubChem (CID 129412307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).