(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine

C19H32N2 — CID 125480311

IUPAC(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H32N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h8,12,14,16,20H,4-7,9-11,13,15H2,1-3H3/t16-/m0/s1
InChIKeyMRDWBGKCSRYBBW-INIZCTEOSA-N
MW288.48 g/mol
LogP4.49
Rot. Bonds8

About (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine

(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine (PubChem CID 125480311) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine
PubChem CID125480311
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H32N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h8,12,14,16,20H,4-7,9-11,13,15H2,1-3H3/t16-/m0/s1
InChIKeyMRDWBGKCSRYBBW-INIZCTEOSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
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
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
2-[[2-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 11569838
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
N,N-diethyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 71344847
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111578848
N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 176916059
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790

Frequently Asked Questions

What is the IUPAC name of (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine?
The IUPAC name of (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine (CID 125480311) is (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine.
What is the SMILES notation for (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine?
The canonical SMILES for (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine is CCN(CC)CCC[C@H](C)Nc1cccc2c1CCCC2.
What is the InChIKey of (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine?
The InChIKey is MRDWBGKCSRYBBW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-21(5-2)15-9-10-16(3)20-19-14-8-12-17-11-6-7-13-18(17)19/h8,12,14,16,20H,4-7,9-11,13,15H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine?
(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine is sourced from PubChem (CID 125480311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).