3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile

C15H20N2 — CID 43652102

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
SMILESCCC(CC#N)NC1CCCc2ccccc21
InChIInChI=1S/C15H20N2/c1-2-13(10-11-16)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,13,15,17H,2,5,7,9-10H2,1H3
InChIKeySKEMIQZRTOASEA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.35
Rot. Bonds4

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile

3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile (PubChem CID 43652102) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
PubChem CID43652102
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
SMILESCCC(CC#N)NC1CCCc2ccccc21
InChIInChI=1S/C15H20N2/c1-2-13(10-11-16)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,13,15,17H,2,5,7,9-10H2,1H3
InChIKeySKEMIQZRTOASEA-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentanenitrile
CID 62842678
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]pentanenitrile
CID 82690628
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
N-hex-1-yn-3-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106226695
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile (CID 43652102) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile is CCC(CC#N)NC1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile?
The InChIKey is SKEMIQZRTOASEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-13(10-11-16)17-15-9-5-7-12-6-3-4-8-14(12)15/h3-4,6,8,13,15,17H,2,5,7,9-10H2,1H3.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile?
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile is sourced from PubChem (CID 43652102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).